Tag: M.W=100-200

Recommanded Product: 60827-45-4. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: (2S)-(+)-3-Chloropropane-1,2-diol, is researched, Molecular C3H7ClO2, CAS is 60827-45-4, about Stereospecific analysis of fatty acid esters of chloropropanediol isolated from fresh goat milk. Author is Myher, J. J.; Kuksis, A.; Marai, L.; Cerbulis, J..

The fatty acid esters of chloropropanediol isolated from goat milk fat in small quantities were subjected to a stereospecific anal. via phospholipase C and phosphocholine esters as intermediates. Synthetic racemic 1-chloro-2,3-dioleoylpropanediol was prepared by standard methods and was used as a control. The stereospecific analyses were performed following release of the fatty acids from the primary positions of each chloropropanediol diester with pancreatic lipase. The resulting 1-chloro-2-acylpropanediols were then converted into the corresponding phosphocholine derivatives by a stepwise reaction with phosphorus oxychloride and choline chloride. The 1-chloro-2-acyl-3-phosphocholinepropanediols were subjected to hydrolysis with phospholipase C (Clostridium perfringens), which hydrolyzed 50% of the phosphatide within 2 min and the rest of it in 2 h. From previous experience with glycerol esters, it was assumed that the more rapidly hydrolyzed mols. were the sn-1-chloro-2-acylpropanediol derivatives and the more slowly hydrolyzed ones the sn-2-acyl-3-chloropropanediol derivatives Hydrolysis with phospholipase A2 (Crotalus adamanteus) released 50% of the total fatty acid along with the corresponding lyso compound within 10 min, after which there was no further reaction. The hydrolysis products were assayed directly by gas chromatog. or were isolated by TLC prior to quantitation by gas chromatog. Both naturally occurring and synthetic chloropropanediol diesters behaved similarly on stereospecific anal. and were therefore concluded to be racemic.

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Iodide – Wikipedia,
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In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called A gram-negative bacterium producing a heat-stable nitrilase highly active on aliphatic dinitriles, published in 1999-11-30, which mentions a compound: 4553-62-2, Name is 2-Methylglutaronitrile, Molecular C6H8N2, Application In Synthesis of 2-Methylglutaronitrile.

A Gram-neg. bacterial strain, identified as Acidovorax facilis strain 72W, has been isolated from soil by enrichment using 2-ethylsuccinonitrile as the sole nitrogen source. This strain grows on a variety of aliphatic mono- and dinitriles. Experiments using various heating regimes indicate that nitrile hydratase, amidase and nitrilase activities are present. The nitrilase is efficient at hydrolyzing aliphatic dinitriles to cyanoacid intermediates. It has a strong bias for C3-C6 dinitriles over mononitriles of the same chain length. Whole, resting cell hydrolysis of 2-methylglutaronitrile results in 4-cyanopentanoic acid and 2-methylglutaric acid as the major products. Heating, at least 20 min at 50°C, eliminates nitrile hydratase and amidase activities, resulting in greater than 97% selectivity to 4-cyanopentanoic acid. The nitrilase activity has good heat stability, showing a half-life of 22.7 h at 50°C and a temperature optimum of at least 65°C for activity. The strain has been deposited as ATCC 55746.

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Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 2-Methylglutaronitrile(SMILESS: N#CC(C)CCC#N,cas:4553-62-2) is researched.Application In Synthesis of 2-Methylglutaronitrile. The article 《Enhancing selectivity and efficiency in the electrochemical synthesis of adiponitrile》 in relation to this compound, is published in Reaction Chemistry & Engineering. Let’s take a look at the latest research on this compound (cas:4553-62-2).

Adiponitrile is a large scale chem. intermediate used in the production of Nylon 6,6. It is primarily produced via two methods: the thermal hydrocyanation of butadiene and the electrochem. hydrodimerization of acrylonitrile. The thermochem. method is an energy intensive process that involves acutely toxic reactants such as hydrogen cyanide. On the other hand, the electrosynthesis of adiponitrile is a green chem. process that uses water-based electrolytes and can be directly coupled with renewable electricity sources such as wind or sunlight. Although this process is the largest organic electrochem. process in industry, it still faces many challenges owing to its low energy conversion efficiency and selectivity. Using a systematic approach, this study provides insights into mass transport and kinetic factors that influence the reaction performance, and demonstrates that by careful control of the composition of the electrolyte, concentration of reactants, operating current densities, and temperature, selectivities as high as 83% can be achieved. Our results provide electrochem. engineering guidelines to significantly improve the efficiency of the electrochem. production of adiponitrile and open up opportunities to the direct implementation of renewable-energy sources in chem. manufacturing

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Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

HPLC of Formula: 60827-45-4. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: (2S)-(+)-3-Chloropropane-1,2-diol, is researched, Molecular C3H7ClO2, CAS is 60827-45-4, about Inhibition of glucose catabolism in rat, hamster, rhesus monkey and human spermatozoa by α-chlorohydrin. Author is Ford, W. C. L.; Harrison, Anne; Takkar, G. L.; Waites, G. M. H..

Spermatozoa from the cauda epididymis of rats treated with RS-α-chlorohydrin [96-24-2] (10 mg/kg/day for 7 days, orally) had the same ATP [56-65-5] content as control spermatozoa immediately after collection, but were unable to metabolize glucose [50-99-7] in vitro and so their ATP content declined more rapidly than that of control spermatozoa. The in vitro metabolism of glucose by spermatozoa from rat, hamster, rhesus monkey, and human was inhibited by ≥80% after 15-30 min preincubation in the presence of RS-α-chlorohydrin concentrations of <1, >10, 5-10, and >50 mM, resp. Inhibition of glucose oxidation was correlated with a reduction in ATP concentration in the spermatozoa. α-Chlorohydrin may act as an antifertility agent by inhibition of sperm glycolysis, but RS-α-chlorohydrin would apparently not be an effective contraceptive in man. However, the glucose metabolism of human spermatozoa was significantly inhibited by <10 mM of S-α-chlorohydrin [60827-45-4]. Here is a brief introduction to this compound(60827-45-4)HPLC of Formula: 60827-45-4, if you want to know about other compounds related to this compound(60827-45-4), you can read my other articles.

Reference:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Research Support, Non-U.S. Gov’t, Biotechnology and Applied Biochemistry called Nitrite-mediated synthesis of chiral epichlorohydrin using halohydrin dehalogenase from Agrobacterium radiobacter AD1, Author is Jin, Huo-Xi; Hu, Zhong-Ce; Liu, Zhi-Qiang; Zheng, Yu-Guo, which mentions a compound: 60827-45-4, SMILESS is OC[C@H](O)CCl, Molecular C3H7ClO2, Recommanded Product: 60827-45-4.

In the current study, the haloalc. dehalogenase HheC gene from Agrobacterium radiobacter AD1 was synthesized and expressed in Escherichia coli. After purification using Ni-nitrilotriacetic acid affinity chromatog., HheC was used in the synthesis of chiral epichlorohydrin in the presence of NO2-. The optimal pH, temperature, and NO2- concentration for enantioselectivity are 5.0, 37°C, and 60 mM, resp. The maximum velocity and Michaelis constant values for (S)-epichlorohydrin are 714.3 μmol min-1 mg-1 and 17.2 mM, resp., whereas those for (R)-epichlorohydrin are 166.8 μmol min-1 mg-1 and 29.0 mM, resp. Under optimal conditions, (R)-epichlorohydrin with 99% enantiomeric excess was obtained after an 18 Min reaction; the yield reached 41%, which is the highest amount obtained for chiral epichlorohydrin synthesis using haloalc. dehalogenase. In addition, (R)-epichlorohydrin with 99% enantiomeric excess was successfully obtained from 1,3-dichloro-2-propanol by the ring opening of racemic epichlorohydrin in the presence of NO2- after the ring closure of 1,3-dichloro-2-propanol with HheC. To the best of our knowledge, the current study is the first report on the kinetic resolution of epichlorohydrin with NO2- and synthesis of chiral epichlorohydrin with 99% enantiomeric excess from 1,3-dichloro-2-propanol by combining ring closure of 1,3-dichloro-2-propanol and ring opening of racemic epichlorohydrin.

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Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Yingyong Huaxue called Asymmetric synthesis of (S)-Metoprolol, Author is Song, Guang-Wei; Zhu, Jin-Tao; Yao, Guo-Xin; Chen, Gang, which mentions a compound: 60827-45-4, SMILESS is OC[C@H](O)CCl, Molecular C3H7ClO2, Product Details of 60827-45-4.

Enantioenriched (S)-3-chloro-1,2-propanediol and (R)-epichlorohydrin were obtained by a kinetic hydrolysis resolution of racemic epichlorohydrin using (S,S)-salen-cobalt acetate and the synthesis of the target compound [i.e., 99% optically pure (S)-Metoprolol] was achieved by a reaction of 4-(2-methoxyethyl)phenol with (2S)-3-chloro-1,2-propanediol and a subsequent amination with 2-propanamine. When (R)-epichlorohydrin was used as a chiral precursor, (S)-Metoprolol was also formed but less optically pure (>92%). The overall product yield 53.9% and the product thus [(-)-Metoprolol, (2S)-1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-2-propanol] was confirmed by IR, 1H-NMR, 13C-NMR, MS. This method may be suitable for industrial process adaptation.

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Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: (2S)-(+)-3-Chloropropane-1,2-diol( cas:60827-45-4 ) is researched.Category: iodides-buliding-blocks.Wang, Yan; Shen, Da-Dong; Zhu, Jin-Tao published the article 《Asymmetric synthesis of (S)-propranolol and (R)-propranolol》 about this compound( cas:60827-45-4 ) in Youji Huaxue. Keywords: propranolol asym synthesis; propanol naphthalenyloxy preparation propranolol asym synthesis. Let’s learn more about this compound (cas:60827-45-4).

The asym. synthesis of propranolol, a known β-blocker, was described. The target compounds thus prepared were (-)-(S)-propranolol [i.e., (2S)-1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-2-propanol] and its corresponding (+)-(R)-isomer [i.e., (2R)-1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-2-propanol]. Highly enantioenriched (S)-epichlorohydrin and (R)-3-chloro-1,2-propanediol were obtained from the kinetic hydrolysis resolution of racemic epichlorohydrin by using a chiral salen-CoIII complex. (S)-Epichlorohydrin was used as chiral reagent to synthesize (S)-propranolol and (R)-propranolol in yields of 80.9% and 74.5% with higher than 99% ee.

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Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Optical isomers of chloropropanediols: mechanisms of their formation and decomposition in protein hydrolyzates, published in 2002-10-31, which mentions a compound: 60827-45-4, mainly applied to chloropropanediol enantiomer formation, Category: iodides-buliding-blocks.

Protein hydrolyzates produced by HCl hydrolysis were analyzed for 3-chloropropane-1,2-diol and its enantiomers. It was found that (R)-3-chloropropane-1,2-diol and (S)-3-chloropropane-1,2-diol were present in the hydrolyzates in equimolar concentrations Model experiments with glycerol, triolein and soy lecithin heated with HCl in solution showed that these materials were precursors of 3-chloropropane-1,2-diol and 2-chloropropane-1,3-diol and, as expected, yielded racemic 3-chloropropane-1,2-diol. Yields of 3-chloropropane-1,2-diols decreased in the order triolein > lecithin > glycerol. The mechanisms of 3-chloropropane-1,2-diol enantiomers formation during the production of protein hydrolyzates are presented and discussed as well as the reaction pathways of their decomposition in alk. media via the corresponding intermediates, (R)- and (S)-glycidol, resp. Both epoxides are hydrolyzed to glycerol and form a variety of products with hydrolyzate constituents.

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Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 4553-62-2, is researched, Molecular C6H8N2, about Insight into polyacrylonitrile molecular structure from calculated vibrational frequencies and infrared intensities of model oligomers, the main research direction is polyacrylonitrile mol vibration model oligomer; IR intensity polyacrylonitrile mol vibration.Application In Synthesis of 2-Methylglutaronitrile.

RHF/3-21G vibrational frequencies and intensities are calculated for acrylonitrile dimers (S-2-methylglutaronitrile) and pentamers differing by their conformation and/or configuration to comprehend the influence of these 2 structural characteristics on the IR spectra of polyacrylonitrile chains. The isotactic pentamer tends to adopt a (TG)3 helix while for the syndiotactic configuration, 2 conformations of similar total energy are obtained. On the basis of these structures, it is found that the calculated IR spectra follow the reported exptl. trends. Of particular interest is the theor. verification of the exptl. observation made by M. Minagawa et al. (1988) that the intensity ratio between bands at 1230 and 1250 cm-1 depends on the stereochem. structure of polyacrylonitrile and provides a measure of their isotacticity percentage.

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Iodide – Wikipedia,
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These common heterocyclic compound, 624-75-9, name is 2-Iodoacetonitrile, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, such as complicated route, low yield, poor purity, etc, below Introduce a new synthetic route. 624-75-9

The compound obtained in Example 21 (4.6 g, 15.35 mmol) and potassium carbonate (10.6 g, 76.73 mmol) were added to acetone (100 mL) and refluxed for 2 hours by heating. To this reaction mixture was dropwise added iodoacetonitrile (1.34 mL, 18.42 mmol), and refluxed over 2 hours. The acetone was removed by vacuum distillation, and to the residue were added water (200 mL) and ethyl acetate (200 mL). The organic layer was dried over anhydrous magnesium sulfate and distillated in a vacuum. The concentrate was subjected to column chromatography (silica gel, ethyl acetate-hexane 2:3 v/v) to afford a mixture of 2:1 of [4-(2-chloropyridin-4-yl)-3-(3-methoxy-5-methylphenyl)-1H-pyrazol-1-yl]acetonitrile and [4-(2-chloropyridin-4-yl)-5-(3-methoxy-5-methylphenyl)-1H-pyrazol-1-yl]acetonitrile as yellow oil. These two regioisomers (4.78 g, 92%) were used in the next reaction step without separation.[4-(2-Chloropyridin-4-yl)-3-(3-methoxy-5-methylphenyl)-1H-pyrazol-1-yl]acetonitrile: 1H NMR (CDCl3) delta 2.29 (s, 3H), 3.71 (s, 3H), 5.19 (s, 2H), 6.73 (s, 1H), 6.75 (s, 1H), 6.85 (s, 1H), 7.06 (d, J=4.4 Hz, 1H), 7.26 (s, 1H), 7.79 (s, 1H), 8.24 (d, J=4.8 Hz, 1H); 13C NMR (CDCl3) delta 21.53, 39.97, 55.29, 110.91, 111.12, 113.65, 115.67, 118.75, 121.59, 121.65, 122.78, 130.58, 132.37, 140.16, 143.28, 149.68, 151.45, 151.79, 159.71, 162.33.[4-(2-Chloropyridin-4-yl)-5-(3-methoxy-5-methylphenyl)-1H-pyrazol-1-yl]acetonitrile: 1H NMR (CDCl3) delta 2.39 (s, 3H), 3.83 (s, 3H), 4.94 (s, 2H), 6.63 (s, 1H), 6.74 (s, 1H), 6.92-6.96 (m, 2H), 7.19 (s, 1H), 7.93 (s, 1H), 8.17 (d, J=5.2 Hz, 1H); 13C NMR (CDCl3) delta 21.56, 37.78, 55.48, 112.15, 113.91, 117.08, 118.16, 119.88, 121.36, 122.48, 128.46, 139.57, 141.60, 142.19, 142.85, 149.78, 151.95, 160.48.To a solvent mixture of THF and water (4:1, 10 mL) were added the mixture prepared in Example 22 (300 mg, 0.89 mmol), 3-pyridineboronic acid (0.13 g, 1.06 mmol), dichlorobis(triphenylphosphine)palladium (II) (31 mg, 0.04 mmol) and potassium carbonate (130 mg, 0.89 mmol), and stirred at 70 C. for 12 hours under nitrogen atmosphere. The reaction mixture was cooled at room temperature, washed with ice water (100 mL) and extracted with ethyl acetate (100 mL×3). The organic extract was dried over anhydrous magnesium sulfate and distilled under vacuum. The residue was subjected to prep-TLC using a solvent mixture of ethyl acetate/hexane to purify the desired products.Purification yield by prep-TLC (silica gel, ethyl acetate-hexane, 2:1, v/v): (62 mg, 55%); m.p. 81-82 C.; 1H NMR (CDCl3) delta 2.39 (s, 3H), 3.80 (s, 3H), 4.95 (s, 2H), 6.73 (s, 1H), 6.80 (s, 1H), 6.94 (s, 1H), 7.11 (d, J=5.0 Hz, 1H), 7.34 (dd, J=3.0, 4.8 Hz, 1H), 7.54 (s, 1H), 8.00 (s, 1H), 8.15 (d, J=7.8 Hz, 1H), 8.54 (d, J=5.1 Hz, 1H), 8.60 (d, J=4.4 Hz, 1H), 8.89 (s, 1H); 13C NMR (CDCl3) delta 21.62, 37.79, 55.50, 112.38, 114.08, 116.81, 118.15, 119.21, 120.35, 122.59, 123.59, 128.90, 134.30, 134.78, 139.57, 140.71, 141.57, 141.97, 148.02, 149.92, 150.34, 154.99, 160.48.

Chemical properties determine the actual use. Each compound has specific chemical properties and uses. We look forward to more synthetic routes in the future to expand reaction routes of 624-75-9.

Reference:
Patent; LEE, So Ha; Yoo, Kyung Ho; Oh, Chang Hyun; Han, Dong Keun; El-Deeb, Ibrahim Mustafa; Park, Byung Sun; Jung, Su Jin; US2011/15395; (2011); A1;,
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com