N-Methyl-N-(4-broMophenyl)aMinoacetonitrile

Base Information

• Chemical Name: N-Methyl-N-(4-broMophenyl)aMinoacetonitrile
• CAS No.: 157671-45-9
• Molecular Formula: C9H9BrN2
• Molecular Weight: 225.088
• Hs Code.: 2926909090
• Mol file: 157671-45-9.mol

Synonyms:

Chemical Property of N-Methyl-N-(4-broMophenyl)aMinoacetonitrile

Chemical Property:

• Melting Point: 40℃
• Boiling Point: 205-206 °C
• PKA: 0.83±0.50(Predicted)
• PSA: 27.03000
• Density: 1.466±0.06 g/cm3(Predicted)
• LogP: 2.40888

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of N-Methyl-N-(4-broMophenyl)aMinoacetonitrile

There total 21 articles about N-Methyl-N-(4-broMophenyl)aMinoacetonitrile 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) + 4-bromo-N,N-dimethylaniline (586-77-6) → 2-[(4-bromophenyl)(methyl)amino]acetonitrile (157671-45-9)

Guidance literature:

With C₄₇H₄₅Cl₂N₅Ru₂⁽²⁺⁾*2F₆P^(1-); dihydrogen peroxide; acetic acid; In methanol; at 60 ℃; for 10h; Inert atmosphere;

DOI:10.1002/jccs.201300084

Reference yield: 95.0%

trimethylsilyl cyanide (7677-24-9) + 4-bromo-N,N-dimethylaniline (586-77-6) → 2-[(4-bromophenyl)(methyl)amino]acetonitrile (157671-45-9)

Guidance literature:

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

DOI:10.1039/c0cc03844j

Reference yield: 88.0%

4-bromo-N,N-dimethylaniline (586-77-6) + sodium cyanide (143-33-9,25596-52-5) → 2-[(4-bromophenyl)(methyl)amino]acetonitrile (157671-45-9)

Guidance literature:

With ruthenium trichloride; oxygen; acetic acid; In methanol; at 60 ℃; for 2h; under 760 Torr;

DOI:10.1021/ja0390303

upstream raw materials:

bromocyane

(N-methylanilino)acetonitrile

4-bromo-N,N-dimethylaniline

3-oxo-1λ³-benzo[d][1,2]iodaoxole-1(3H)-carbonitrile

Downstream raw materials:

4-bromo-N,N-dimethylaniline

(2E,4E)-2-(N-methyl-4-bromoanilino)-5-phenyl-2,4-pentadienenitrile

carbon dioxide

C₉H₁₃BrN₂*ClH

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