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Home > Encyclopedia > (S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile

(S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile

(S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile structure

(S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile 

structure
  • CAS No:

    207557-35-5

  • Formula:

    C7H9ClN2O

  • Chemical Name:

    (S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile

  • Synonyms:

    2-Pyrrolidinecarbonitrile,1-(2-chloroacetyl)-,(2S)-;2-Pyrrolidinecarbonitrile,1-(chloroacetyl)-,(2S)-;(2S)-1-(2-Chloroacetyl)-2-pyrrolidinecarbonitrile;1-Chloroacetyl-2-(S)-cyanopyrrolidine;(S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile;(2S)-1-chloroacetylpyrrolidine-2-carbonitrile;(2S)-1-(Chloroacetyl)-2-pyrrolidinecarbonitrile;(2S)-N-Chloroacetyl-2-cyanopyrrolidine;1-(2-Chloroacetyl)-(2S)-pyrrolidine carbonitrile;(S)-1-(Chloroacetyl)pyrrolidine-2-carbonitrile;2-Pyrrolidinecarbonitrile 1-(2-chloroacetyl)-,(2S)-

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

White crystals

(S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile Basic Attributes

172.612

172.61

807-388-8

DTXSID00454201

2933990090

Characteristics

44.10000

0.7

1.3±0.1 g/cm3

52-53 °C

363.1±37.0 °C at 760 mmHg

173.4±26.5 °C

1.519

0mmHg at 25°C

Safety Information

P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, P501

H302

|Warning|H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

(S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile Use and Manufacturing

(2S)-1-(2-Chloroacetyl)-2-9-pyrrolidinecarbonitrile is a key intermediate for dipeptidyl peptidase IV inhibitor Vildagliptin (V305000).

Computed Properties

Molecular Weight:172.61
XLogP3:0.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:172.0403406
Monoisotopic Mass:172.0403406
Topological Polar Surface Area:44.1
Heavy Atom Count:11
Complexity:208
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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