2-bromo-N-(1-phenylethyl)acetamide

Base Information

• Chemical Name: 2-bromo-N-(1-phenylethyl)acetamide
• CAS No.: 70110-38-2
• Molecular Formula: C10H12 Br N O
• Molecular Weight: 242.115
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID20444785
• Mol file: 70110-38-2.mol

Synonyms:2-bromo-N-(1-phenylethyl)acetamide;70110-38-2;MFCD05624926;SCHEMBL6426547;DTXSID20444785;STL066920;AKOS000319675;AKOS016345663;LS-03568;CS-0313913;FT-0683286

Chemical Property of 2-bromo-N-(1-phenylethyl)acetamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 373.345oC at 760 mmHg
• Flash Point: 179.593oC
• PSA: 29.10000
• Density: 1.382g/cm3
• LogP: 2.64960
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 241.01023
• Heavy Atom Count: 13
• Complexity: 166

Purity/Quality:

98%min ^*data from raw suppliers

2-Bromo-N-(1-phenylethyl)acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)NC(=O)CBr

Technology Process of 2-bromo-N-(1-phenylethyl)acetamide

There total 2 articles about 2-bromo-N-(1-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: 85.0%

2-Bromoacetyl bromide (598-21-0) + rac-methylbenzylamine (618-36-0) → rac-2-bromo-N-(α-methylbenzyl)acetamide (70110-38-2)

Guidance literature:

With triethylamine; In dichloromethane; at -5 - 20 ℃;

DOI:10.1002/ejoc.200900255

Reference yield:

2-bromoacetyl chloride (22118-09-8) + rac-methylbenzylamine (618-36-0) → rac-2-bromo-N-(α-methylbenzyl)acetamide (70110-38-2)

Guidance literature:

DOI:10.1021/jo01092a630

Reference yield: 88.0%

rac-2-bromo-N-(α-methylbenzyl)acetamide (70110-38-2) + triethyl phosphite (122-52-1) → diethoxyphosphoryl-N-(1-phenylethyl)acetamide (65210-10-8)

Guidance literature:

With sodium iodide; In N,N-dimethyl-formamide; for 0.025h; Microwave irradiation;

DOI:10.1080/00397911.2010.530377

upstream raw materials:

2-bromoacetyl chloride

rac-methylbenzylamine

2-Bromoacetyl bromide

Downstream raw materials:

C₁₀H₁₂N₄O

diethoxyphosphoryl-N-(1-phenylethyl)acetamide

Refernces

• 1、 -. "MODIFIED PEPTOIDS". Page/Page column 35. . Retrieved 2018/11/22.
• 2、 Zhou, Bo,He, Yantao,Zhang, Xian,Xu, Jie,Luo, Yong,Wang, Yuehong,Franzblau, Scott G.,Yang, Zhenyun,Chan, Rebecca J.,Liu, Yan,Zheng, Jianyu,Zhang, Zhong-Yin. "Targeting mycobacterium protein tyrosine phosphatase B for antituberculosis agents". scheme or table. p. 4573 - 4578. Retrieved 2010/10/03.