ChemicalBook--->CAS DataBase List--->127913-44-4

127913-44-4

127913-44-4 Structure

127913-44-4 Structure
IdentificationMore
[Name]

(S)-4-Chloro-3-hydroxybutyronitrile
[CAS]

127913-44-4
[Synonyms]

4-CHLORO-3-HYDROXY-BUTYRONITRILE
(S)-(-)-4-CHLORO-3-HYDROXYBUTYRONITRILE
(S)-4-CHLORO-3-HYDROXYBUTYRONITRILE
(S)-(-)-4-CHLORO-3-HYDROXYBUTYRONITRILE, 97% (97% EE/GLC)
(S)-4-CHLORO-3-HYDROXYBUTYRONITRILE 98+%
[EINECS(EC#)]

1308068-626-2
[Molecular Formula]

C4H6ClNO
[MDL Number]

MFCD00273363
[Molecular Weight]

119.55
[MOL File]

127913-44-4.mol
Chemical PropertiesBack Directory
[Appearance]

Colorless to light yellow liqui
[Boiling point ]

110 °C/1 mmHg(lit.)
[density ]

1.250 g/mL at 20 °C(lit.)
[refractive index ]

n20/D 1.474(lit.)
[Fp ]

110 °C
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

Chloroform (Sparingly), Methanol (Slightly)
[form ]

Oil
[pka]

12.67±0.20(Predicted)
[color ]

Clear Colourless
[Optical Rotation]

Consistent with structure
[InChI]

InChI=1S/C4H6ClNO/c5-3-4(7)1-2-6/h4,7H,1,3H2/t4-/m0/s1
[InChIKey]

LHBPNZDUNCZWFL-BYPYZUCNSA-N
[SMILES]

C(#N)C[C@H](O)CCl
[CAS DataBase Reference]

127913-44-4(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[HS Code ]

29269090
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

(S)-4-Chloro-3-hydroxybutyronitrile(127913-44-4).msds
Hazard InformationBack Directory
[Chemical Properties]

Colorless to light yellow liqui
[Uses]

(3S)-4-Chloro-3-hydroxybutyronitrile is used in various organic precursor syntheses. It is used in the synthesis of hydroxypyrrolidinones to by used as carbapenem precursors. Also used in the preparat ion of atorvastatin (A791750) precursors. Impurity in the synthesis of Rosuvastatin (R700500), a selective, competitive HMG-CoA reductase inhibitor. Antilipemic.
[Synthesis]

(S)-(+)-Epichlorohydrin

67843-74-7

Sodium cyanide

143-33-9

(S)-4-Chloro-3-hydroxybutyronitrile

127913-44-4

1. 75 L of water was added to the reactor followed by (S)-epichlorohydrin (99.3% ee). Under stirring conditions, 4.76 kg of 25% aqueous sodium cyanide and 3.30 kg of 50% aqueous citric acid were slowly added dropwise for 1 h. 2. The pH was maintained between 7.9 and 8 during the reaction, and the temperature was controlled at 22-25°C for 50 min. 3. After completion of the reaction, stirring was continued for 10 h. Then 0.7 kg of sodium chloride was added and stirred until it was The reaction mixture was extracted with 20 L of ethyl acetate and the organic layer was separated. 5. 0.2 kg of anhydrous sodium sulfate was added to the ethyl acetate layer, stirred for 30 min and filtered. 6. The ethyl acetate was removed by evaporation under reduced pressure, and the residue was distilled through a membrane distiller at 110°C/1 mbar to give 1.77 kg of (S)-4-chloro-3-hydroxybutanenitrile (Yield 91.3%, chemical purity 99.1%). 7. and 99.1% chemical purity).7. The optical purity of the product was determined to be 99.3% ee by GC analysis.8. The experiments were repeated under different reaction conditions according to the same method and the results are summarized in Table 1.

[References]

[1] Synthesis, 2004, # 16, p. 2629 - 2632
[2] Patent: WO2005/87715, 2005, A1. Location in patent: Page/Page column 9-10
[3] Patent: WO2005/87715, 2005, A1. Location in patent: Page/Page column 10
[4] Patent: WO2005/87715, 2005, A1. Location in patent: Page/Page column 10
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-4-Chloro-3-hydroxybutyronitrile(127913-44-4)1HNMR
127913-44-4 suppliers list
Company Name: Jiangxi Sunway Chemical Co., Ltd.
Tel: +86-0794-5259909 +8615888611133 , +8615888611133
Website: www.jxswchem.com
Company Name: JiangXi Bobert Imp&Exp Co.,LTD
Tel: +8618071643627 , +8618071643627
Website:
Company Name: Hebei Chuanghai Biotechnology Co., Ltd
Tel: +8617732866630 , +8617732866630
Website:
Company Name: Hebei Mujin Biotechnology Co.,Ltd
Tel: +86-13288715578
Website:
Company Name: airuikechemical co., ltd.
Tel: +86-18353166132
Website: airuikechemical.com/
Company Name: hebei hongtan Biotechnology Co., Ltd
Tel: +852-6619 3215 +86-17731935328 , +86-17731935328
Website: hbht123.com
Company Name: ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD
Tel: +86-13017695106 +86-13676922317 , +86-13676922317
Website:
Company Name: Capot Chemical Co.,Ltd.
Tel: +8613336195806 , +8613336195806
Website: www.capot.com
Company Name: Shanghai Daken Advanced Materials Co.,Ltd
Tel: +86-2158073036
Website: www.dakenchem.com/
Company Name: Henan Tianfu Chemical Co.,Ltd.
Tel: +86-0371-55170693 +86-19937530512 , +86-19937530512
Website: https://www.tianfuchem.com/
Company Name: Nanjing ChemLin Chemical Industry Co., Ltd.
Tel: 025-83697070
Website: www.echemlin.cn
Company Name: career henan chemical co
Tel: +86-0371-86658258 +8613203830695 , +8613203830695
Website: www.coreychem.com/
Company Name: Shanghai Arbor Chemical Co., Ltd.
Tel: 021-60451682
Website: www.chemicalbook.com/ShowSupplierProductsList31105/0_EN.htm
Company Name: Jinan Carbotang Biotech Co.,Ltd.
Tel: +8615866703830 , +8615866703830
Website: https://www.chemicalbook.com/ShowSupplierProductsList31189/0.htm
Company Name: Xiamen AmoyChem Co., Ltd
Tel: +86-86-5926051114 +8615060885618 , +8615060885618
Website: www.amoychem.com/
Company Name: Changzhou Ditong Chemical Co.,Ltd
Tel: +86-0519-88299272
Website: http://www.edengenechem.com
Company Name: Alchem Pharmtech,Inc.
Tel: 8485655694
Website: www.chemicalbook.com/ShowSupplierProductsList454175/0_EN.htm
Company Name: CONIER CHEM AND PHARMA LIMITED
Tel: +8618523575427 , +8618523575427
Website: http://www.conier.com/
Tags:127913-44-4 Related Product Information
461-05-2 124-83-4 541-15-1 6490-20-6 2788-28-5 57090-45-6 60827-45-4 610-02-6 84367-31-7 767-00-0 78-67-1 927-89-9 857162-57-3 144205-67-4 931426-07-2 873385-02-5 109-74-0 75-45-6

  • HomePage | Member Companies | Advertising | Contact us | Previous WebSite | MSDS | CAS Index | CAS DataBase | Privacy | Terms | About Us
  • All products displayed on this website are only for non-medical purposes such as industrial applications or scientific research, and cannot be used for clinical diagnosis or treatment of humans or animals. They are not medicinal or edible.
    According to relevant laws and regulations and the regulations of this website, units or individuals who purchase hazardous materials should obtain valid qualifications and qualification conditions.
  • Copyright © 2023 ChemicalBook All rights reserved.