2-Chloro-N-methyl-N-(2-phenylethyl)acetamide

Base Information

• Chemical Name: 2-Chloro-N-methyl-N-(2-phenylethyl)acetamide
• CAS No.: 13230-84-7
• Molecular Formula: C11H14ClNO
• Molecular Weight: 211.68800
• DSSTox Substance ID: DTXSID60502494
• Wikidata: Q82355596
• Mol file: 13230-84-7.mol

Synonyms:13230-84-7;2-Chloro-N-methyl-N-(2-phenylethyl)acetamide;Acetamide, 2-chloro-N-methyl-N-(2-phenylethyl)-;SCHEMBL2062823;DTXSID60502494;SRAMTXJPLPJVNA-UHFFFAOYSA-N;AKOS009159012;2-chloro-N-methyl-N-phenethyl-acetamide;Z381548086

Chemical Property of 2-Chloro-N-methyl-N-(2-phenylethyl)acetamide

Chemical Property:

• Vapor Pressure: 0.000171mmHg at 25°C
• Boiling Point: 330oC at 760 mmHg
• Flash Point: 153.4oC
• PSA: 20.31000
• Density: 1.128g/cm3
• LogP: 1.92630
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 211.0763918
• Heavy Atom Count: 14
• Complexity: 178

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CCC1=CC=CC=C1)C(=O)CCl

Technology Process of 2-Chloro-N-methyl-N-(2-phenylethyl)acetamide

There total 3 articles about 2-Chloro-N-methyl-N-(2-phenylethyl)acetamide 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: 93.0%

chloroacetyl chloride (79-04-9) + N-Methyl-N-phenethylamine (589-08-2) → 2-chloro-N-methyl-N-(2-phenylethyl)acetamide (13230-84-7)

Guidance literature:

With pyridine; In benzene; 1.) RT, 1 h; 2.) reflux, 1 h;

DOI:10.1016/0040-4020(80)80055-X

Reference yield:

1-phenyl-2-bromoethane (103-63-9) → 2-chloro-N-methyl-N-(2-phenylethyl)acetamide (13230-84-7)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran / 5 h

2: 67.1 percent / sodium bicarbonate / H₂O; various solvent(s) / 1 h / 10 °C

With sodium hydrogencarbonate; In tetrahydrofuran; water;

DOI:10.1016/j.tetasy.2005.10.037

Reference yield:

→ 2-chloro-N-methyl-N-(2-phenylethyl)acetamide (13230-84-7)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 4h;

upstream raw materials:

chloroacetyl chloride

N-Methyl-N-phenethylamine

1-phenyl-2-bromoethane

Downstream raw materials:

1,2,4,5-tetrahydro-1-(2,3-dimethoxybenzyl)-3-methyl-3H-3-benzazepin-2-one

1,2,4,5-tetrahydro-1-benzyl-3-methyl-3H-3-benzazepin-2-one

1,2,4,5-tetrahydro-1-cyclohexyl-3-methyl-3H-3-benzazepin-2-one

(1S)-1-amino-3-methyl-1H,4H,5H-benzo[d]azaperhydroepin-2-one di-p-toluoyl-L-tartrate