[Methyl(phenyl)amino]acetonitrile

Base Information

• Chemical Name: [Methyl(phenyl)amino]acetonitrile
• CAS No.: 36602-08-1
• Molecular Formula: C9H10N2
• Molecular Weight: 146.192
• Hs Code.: 2926909090
• NSC Number: 406908,59411
• DSSTox Substance ID: DTXSID10289147
• Nikkaji Number: J358.475E
• Wikidata: Q82026333
• Mol file: 36602-08-1.mol

Synonyms:[methyl(phenyl)amino]acetonitrile;36602-08-1;2-(N-methylanilino)acetonitrile;2-(Methyl(phenyl)amino)acetonitrile;2-[METHYL(PHENYL)AMINO]ACETONITRILE;NSC59411;SCHEMBL304704;DTXSID10289147;2-(methyl-phenylamino)acetonitrile;alpha-(n-methylanilino)acetonitrile;NSC-59411;NSC406908;AKOS000187921;NSC-406908

Chemical Property of [Methyl(phenyl)amino]acetonitrile

Chemical Property:

• Vapor Pressure: 0.0103mmHg at 25°C
• Refractive Index: 1.57
• Boiling Point: 263.5 °C at 760 mmHg
• PKA: 1.68±0.50(Predicted)
• Flash Point: 110 °C
• PSA: 27.03000
• Density: 1.064 g/cm³
• LogP: 1.64638
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 146.084398327
• Heavy Atom Count: 11
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

2-(Methyl(phenyl)amino)acetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CC#N)C1=CC=CC=C1

Technology Process of [Methyl(phenyl)amino]acetonitrile

There total 46 articles about [Methyl(phenyl)amino]acetonitrile 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: 100.0%

sodium cyanide (773837-37-9) + N,N-dimethyl-aniline (121-69-7,77733-26-7) → (N-methylanilino)acetonitrile (36602-08-1)

Guidance literature:

With C₄₇H₄₅Cl₂N₅Ru₂⁽²⁺⁾*2F₆P^(1-); dihydrogen peroxide; acetic acid; In methanol; at 60 ℃; for 8h; Reagent/catalyst; Solvent; Temperature; Inert atmosphere;

DOI:10.1002/jccs.201300084

Reference yield: 98.0%

trimethylsilyl cyanide (7677-24-9) + N,N-dimethyl-aniline (121-69-7,77733-26-7) → (N-methylanilino)acetonitrile (36602-08-1)

Guidance literature:

With tert.-butylhydroperoxide; [(bpy)AuCl₂]Cl; In methanol; decane; at 20 ℃; for 5h; regioselective reaction;

DOI:10.1039/c0cc03844j

Reference yield: 98.0%

N,N-dimethyl-aniline (121-69-7,77733-26-7) → (N-methylanilino)acetonitrile (36602-08-1)

Guidance literature:

With rhodium(III) chloride hydrate; dihydrogen peroxide; In water; at 50 ℃; for 3h;

DOI:10.1016/j.tetlet.2015.05.033

upstream raw materials:

potassium cyanide

sodium N-methylphenylaminomethanesulfonate

glycolonitrile

N-methylaniline

Downstream raw materials:

2-[(4-bromophenyl)(methyl)amino]acetonitrile

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-methyl-aniline

N-Methyl-N-phenylglycin

N-methyl-N-phenylethylenediamine

Refernces

• 1、 Heidarian, Mahdi,Moghaddam, Firouz Matloubi,Pourkaveh, Raheleh. "Nano cobalt-copper ferrite catalyzed regioselective α-C(sp3)–H cyanation of amines: Secondary, tertiary, and drug molecules". . . Retrieved 2020/11/03.
• 2、 Cai, Hu,Fu, Yaping,Fu, Zhengjiang,Guo, Shengmei,Hao, Guangguo,Yi, Xuezheng,Yin, Jian,Zhong, Tingting. "Electrochemical strategies for: N -cyanation of secondary amines and α C -cyanation of tertiary amines under transition metal-free conditions". supporting information. p. 9422 - 9427. Retrieved 2021/12/09.