Methyl-b-cyanomethylammonium chloride

Base Information

• Chemical Name: Methyl-b-cyanomethylammonium chloride
• CAS No.: 25808-30-4
• Molecular Formula: C3H6N2^.HCl
• Molecular Weight: 106.555
• Hs Code.: 29269090
• Mol file: 25808-30-4.mol

Synonyms:SCHEMBL16053175;methyl-b-cyanomethylammonium chloride

Chemical Property of Methyl-b-cyanomethylammonium chloride

Chemical Property:

• Appearance/Colour: Orange crystalline powder.
• Vapor Pressure: 3.89mmHg at 25°C
• Melting Point: 103-106 °C(lit.)
• Boiling Point: 150.2ºC at 760 mmHg
• Flash Point: 44.6ºC
• PSA: 35.82000
• LogP: 0.92228
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 106.0297759
• Heavy Atom Count: 6
• Complexity: 49.2

Purity/Quality:

99% ^*data from raw suppliers

Methylaminoacetonitrile hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[NH2+]CC#N.[Cl-]
• 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.

Technology Process of Methyl-b-cyanomethylammonium chloride

There total 1 articles about Methyl-b-cyanomethylammonium chloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ 2-(methylamino)acetonitrile hydrochloride (25808-30-4)

Guidance literature:

Reference yield: 99.0%

2-chloro-5-nitrobenzoylchloride (25784-91-2) + 2-(methylamino)acetonitrile hydrochloride (25808-30-4) → 2-chloro-N-cyanomethyl-N-methyl-5-nitrobenzamide (205309-72-4)

Guidance literature:

With sodium hydroxide; In toluene; for 1h;

DOI:10.1002/jhet.5570350141

Reference yield: 61.0%

2-(methylamino)acetonitrile hydrochloride (25808-30-4) + 3-(4-methylphenyl)acrylaldehyde (1504-75-2) → C23H22N2

Guidance literature:

With benzoic acid; In toluene; at 120 ℃; for 24h; Sealed tube;

DOI:10.1021/ol501580b

Downstream raw materials:

1-(3,4-dimethoxy-phenyl)-2-methylamino-ethanone; hydrochloride

1-(4-methoxy-phenyl)-2-methylamino-ethanone

1-(2,4-dihydroxy-phenyl)-2-methylamino-ethanone; hydrochloride

1-(4-hydroxy-phenyl)-2-methylamino-ethanone

Refernces

• 1、 -. "Benzenesulfonamide derivatives and their use as MEK inhibitors". . . Retrieved 2008/06/13.