o-Tolylaminoacetonitrile

Base Information

• Chemical Name: o-Tolylaminoacetonitrile
• CAS No.: 16728-83-9
• Molecular Formula: C9H10 N2
• Molecular Weight: 146.192
• Hs Code.: 2926909090
• NSC Number: 528393
• UNII: 9Y4A0U6M4B
• DSSTox Substance ID: DTXSID70168267
• Nikkaji Number: J55.178C
• Wikidata: Q83037827
• Mol file: 16728-83-9.mol

Synonyms:o-Tolylaminoacetonitrile;16728-83-9;2-(2-methylanilino)acetonitrile;ACETONITRILE, o-TOLUIDINO-;Acetonitrile, o-tolylamino-;(2-Methylanilino)acetonitrile;Glycinonitrile, N-o-tolyl-;NSC 528393;BRN 2085645;Acetonitrile, ((2-methylphenyl)amino)-;9Y4A0U6M4B;NSC-528393;Acetonitrile, [(2-methylphenyl)amino]-;Acetonitrile, ((2-methylphenyl)amino)- (9CI);0-12-00-00815 (Beilstein Handbook Reference);NSC528393;2-toluidinoacetonitrile;WLN: NC1MR B1;UNII-9Y4A0U6M4B;SCHEMBL1826516;DTXSID70168267;[(2-Methylphenyl)amino]acetonitrile;Glycinonitrile, N-o-tolyl- (6CI);AKOS000258759;2-((2-METHYLPHENYL)AMINO)ACETONITRILE;ACETONITRILE, 2-((2-METHYLPHENYL)AMINO)-

Chemical Property of o-Tolylaminoacetonitrile

Chemical Property:

• Vapor Pressure: 0.000432mmHg at 25°C
• Boiling Point: 315.6°C at 760 mmHg
• Flash Point: 144.7°C
• PSA: 35.82000
• Density: 1.082g/cm³
• LogP: 2.00348
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 146.084398327
• Heavy Atom Count: 11
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1NCC#N

Technology Process of o-Tolylaminoacetonitrile

There total 6 articles about o-Tolylaminoacetonitrile 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: 44.0%

cyanoacetic acid (372-09-8) + o-toluidine (95-53-4) → 2-(o-tolylamino)acetonitrile (16728-83-9)

Guidance literature:

With tert.-butylhydroperoxide; sodium acetate; tetra-(n-butyl)ammonium iodide; In tetrahydrofuran; water; at 80 ℃; for 12h;

DOI:10.1002/chem.201502733

Reference yield:

o-toluidine (95-53-4) → 2-(o-tolylamino)acetonitrile (16728-83-9)

Guidance literature:

With sodium metabisulfite; formaldehyd; man behandelt die erhaeltliche Loesung des Salzes NaC₈H₁₀O₃NS bei 50-65grad mit KCN;

Reference yield:

hydrogen cyanide (74-90-8) + o-toluidine (95-53-4) → 2-(o-tolylamino)acetonitrile (16728-83-9)

Guidance literature:

With formaldehyd;

upstream raw materials:

ethanol

glycolonitrile

N-methylaniline

hydrogen cyanide

Downstream raw materials:

N-Nitroso-N-<2-methyl-phenylamino>-acetonitril

2-(o-tolylamino)acetamide

2-(N-Methylaniline)acetamide

N-(2-methylphenyl)ethylenediamine

Refernces