Methylaminoacetonitrile hydrochloride Chemical Properties

Melting point:

103-106 °C(lit.)

storage temp. 

Inert atmosphere,Room Temperature

Appearance

White to off-white Solid

BRN 

3908975

InChI

1S/C3H6N2.ClH/c1-5-3-2-4;/h5H,3H2,1H3;1H

InChIKey

DFKBQHBEROHUNF-UHFFFAOYSA-N

SMILES

Cl.CNCC#N

CAS DataBase Reference

25808-30-4(CAS DataBase Reference)

EPA Substance Registry System

Acetonitrile, (methylamino)-, monohydrochloride (25808-30-4)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36

WGK Germany 

3

TSCA 

TSCA listed

HS Code 

29269090

Storage Class

11 - Combustible Solids

Hazard Classifications

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

MSDS

• Language:English Provider:Methylaminoacetonitrile hydrochloride
• Language:English Provider:SigmaAldrich

Methylaminoacetonitrile hydrochloride Usage And Synthesis

Chemical Properties

Yellow crystal

Uses

Methylaminoacetonitrile hydrochloride can be used as an intermediate in pharmaceutical and chemical synthesis. It is the raw material for the preparation of tadalafil. Approved by the FDA in 2003, tadalafil was marketed in the United States as a drug for the treatment of erectile dysfunction in men.

Synthesis

A method of preparing methylaminoacetonitrile hydrochloride, comprising: (1) reacting methylamine hydrochloride, sodium cyanide and formaldehyde as reaction raw materials to form methylaminoacetonitrile in the presence of a catalyst; and (2) reacting said methylaminoacetonitrile with hydrochloric acid to form said methylaminoacetonitrile hydrochloride, and in step (1) the reaction is carried out at below 0?? C. using 3-mercaptopropionic acid as a catalyst, and the amount of catalyst is from 0.9 to 1.1 times.

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