(S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile - CAS 207557-35-5
Catalog: |
BB016261 |
Product Name: |
(S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile |
CAS: |
207557-35-5 |
Synonyms: |
(2S)-1-(2-chloro-1-oxoethyl)-2-pyrrolidinecarbonitrile; (2S)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile |
IUPAC Name: | (2S)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile |
Description: | (S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile (CAS# 207557-35-5) is a key intermediate for dipeptidyl peptidase IV inhibitor Vildagliptin (V305000). |
Molecular Weight: | 172.61 |
Molecular Formula: | C7H9ClN2O |
Canonical SMILES: | C1CC(N(C1)C(=O)CCl)C#N |
InChI: | InChI=1S/C7H9ClN2O/c8-4-7(11)10-3-1-2-6(10)5-9/h6H,1-4H2/t6-/m0/s1 |
InChI Key: | YCWRPKBYQZOLCD-LURJTMIESA-N |
Boiling Point: | 363.149 °C at 760 mmHg |
Density: | 1.273 g/cm3 |
MDL: | MFCD08689902 |
LogP: | 0.67768 |
GHS Hazard Statement: | H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | 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 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113264863-A | Preparation method of (S) -1- (2-chloroacetyl) pyrrolidine-2-carbonitrile with high chiral purity | 20210425 |
CN-112679406-A | Continuous preparation method of vildagliptin | 20201214 |
CN-112028806-A | Synthetic method of vildagliptin intermediate | 20200825 |
CN-111548297-A | Synthetic method of vildagliptin | 20200616 |
CN-111269217-A | Pyrimidinamine compound, preparation method and application thereof | 20200407 |
PMID | Publication Date | Title | Journal |
18941490 | 20080101 | Synthesis of (S)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile: a key intermediate for dipeptidyl peptidase IV inhibitors | Beilstein journal of organic chemistry |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.0403406 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.0403406 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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