(2S)-1-(Chloroacetyl)-2-pyrrolidinecarbonitrile

Basic Information

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CAS Number

207557-35-5

Molecular Formula

C7H9ClN2O

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

White to Yellow Solid

Boiling Point

363.1°C at 760 mmHg

Flash Point

173.427℃

SMILES

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N#C[C@H]1N(C(CCl)=O)CCC1

InChI

InChI=1S/C7H9ClN2O/c8-4-7(11)10-3-1-2-6(10)5-9/h6H,1-4H2/t6-/m0/s1

InChIKey

YCWRPKBYQZOLCD-LURJTMIESA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

(2S)-1-(Chloroacetyl)-2-pyrrolidinecarbonitrile
(2S)-1-(2-Chloroacetyl)-2-9-pyrrolidinecarbonitrile
Vildagliptin interMediate C
vildagliptin Impurity J
2-Pyrrolidinecarbonitrile, 1-(chloroacetyl)-, (2S)-
(S)-1-(2-CHLOROACETYL)PYRROLIDINE-2-CARBONITRILE
(2S)-1-CHLOROACETYLPYRROLIDINE-2-CARBONITRILE
(2S)-N-(Chloroacetyl)-2-Pyrrolidine Carbonitrile
(2S)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile
(2S)-1-(Chloroacetyl)-2-cyanopyrrolidine
(2R)-1-(Chloroacetyl)-2-pyrrolidinecarbonitrile
(S)-1-(2-Chloroacetyl)-pyrrolidine-2-carbonitrile
1-(2-chloroacetyl)pyrrolidine-2-carbonitrile
1-chloroacetyl-2-(S)-pyrrolidinecarbonitrile
(S)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile

MDL Number

MFCD08689902

Customs Code

2942000000

FAQ

What is (2S)-1-(Chloroacetyl)-2-pyrrolidinecarbonitrile (CAS: 207557-35-5)?

(2S)-1-(Chloroacetyl)-2-pyrrolidinecarbonitrile is a synthetic organic compound with the CAS number 207557-35-5. It has the chemical formula C6H9ClN2O and is characterized by its pyrrolidine ring structure with a chloroacetyl and cyano functional group. This compound is known for its reactivity and is commonly used in chemical synthesis for pharmaceutical and research applications.

What are the main uses of (2S)-1-(Chloroacetyl)-2-pyrrolidinecarbonitrile (CAS: 207557-35-5)?

(2S)-1-(Chloroacetyl)-2-pyrrolidinecarbonitrile is primarily used in pharmaceutical research as an intermediate in the synthesis of various drugs. It also finds applications in organic chemistry for creating derivatives with specific biological activities, and in industrial processes as a building block for complex molecules. Its utility is supported by its structural versatility and reactivity.

Is (2S)-1-(Chloroacetyl)-2-pyrrolidinecarbonitrile (CAS: 207557-35-5) safe?

Safety of (2S)-1-(Chloroacetyl)-2-pyrrolidinecarbonitrile depends on handling conditions. It is generally considered safe when used in controlled environments, but proper precautions should be taken. Protective equipment such as gloves and goggles is recommended during handling. Safety standards require adherence to standard chemical safety protocols to minimize exposure risks.

How should (2S)-1-(Chloroacetyl)-2-pyrrolidinecarbonitrile (CAS: 207557-35-5) be stored?

(2S)-1-(Chloroacetyl)-2-pyrrolidinecarbonitrile should be stored in a cool, dry, and well-ventilated area, away from light. It is typically kept in tightly sealed containers to prevent moisture absorption and contamination. Storage conditions should maintain a temperature below 25°C and humidity levels below 60% to ensure stability and prolong shelf life.