alpha-Benzyl-N-methylphenethylamine

Base Information

• Chemical Name: alpha-Benzyl-N-methylphenethylamine
• CAS No.: 53660-20-1
• Molecular Formula: C16H19 N
• Molecular Weight: 225.334
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID40201897
• Nikkaji Number: J749.968J
• Wikidata: Q83075128
• Mol file: 53660-20-1.mol

Synonyms:ABNMP;alpha-benzyl-N-methylphenethylamine

Chemical Property of alpha-Benzyl-N-methylphenethylamine

Chemical Property:

• Vapor Pressure: 9.03E-05mmHg at 25°C
• Boiling Point: 339.7°Cat760mmHg
• Flash Point: 158.1°C
• PSA: 12.03000
• Density: 1g/cm³
• LogP: 3.45070
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 225.151749610
• Heavy Atom Count: 17
• Complexity: 170

Purity/Quality:

99% ^*data from raw suppliers

(1,3-DIPHENYLPROPAN-2-YL)(METHYL)AMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(CC1=CC=CC=C1)CC2=CC=CC=C2

Technology Process of alpha-Benzyl-N-methylphenethylamine

There total 3 articles about alpha-Benzyl-N-methylphenethylamine 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:

(1-benzyl-2-phenyl-ethylidene)-methyl-amine (29639-93-8) → α-benzyl-N-methylphenethylamine (53660-20-1)

Guidance literature:

With palladium on activated charcoal; ethyl acetate; Hydrogenation;

Reference yield:

methylamine (74-89-5) + 1,3-Diphenylpropanone (102-04-5) → α-benzyl-N-methylphenethylamine (53660-20-1)

Guidance literature:

With sodium tris(acetoxy)borohydride; acetic acid; In dichloromethane; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1021/acs.orglett.9b00315

Reference yield:

1,3-Diphenylpropanone (102-04-5) → α-benzyl-N-methylphenethylamine (53660-20-1)

Guidance literature:

Multi-step reaction with 2 steps

1: titanium(IV) isopropylate / dichloromethane; methanol / 1 h / Inert atmosphere; Schlenk technique

2: sodium tetrahydroborate / methanol / 2 h / 0 - 20 °C / Inert atmosphere; Schlenk technique

With titanium(IV) isopropylate; sodium tetrahydroborate; In methanol; dichloromethane;

DOI:10.1021/jacs.9b05850

upstream raw materials:

(1-benzyl-2-phenyl-ethylidene)-methyl-amine

methylamine

1,3-Diphenylpropanone

Refernces

• 1、 Lang, Kai,Torker, Sebastian,Wojtas, Lukasz,Zhang, X. Peter. "Asymmetric Induction and Enantiodivergence in Catalytic Radical C-H Amination via Enantiodifferentiative H-Atom Abstraction and Stereoretentive Radical Substitution". supporting information. p. 12388 - 12396. Retrieved 2019/08/20.