N-Benzyl-2-chloropropanamide

Base Information

• Chemical Name: N-Benzyl-2-chloropropanamide
• CAS No.: 24752-66-7
• Molecular Formula: C10H12 Cl N O
• Molecular Weight: 197.664
• DSSTox Substance ID: DTXSID60947669
• Nikkaji Number: J706.259A
• Mol file: 24752-66-7.mol

Synonyms:N-Benzyl-2-chloropropanamide;24752-66-7;Propanamide, 2-chloro-N-(phenylmethyl)-;CCRIS 1829;N-Benzyl-2-chloro-propionamide;SCHEMBL21538582;DTXSID60947669;N-Benzyl-2-chloropropanimidic acid;AKOS000199080;AKOS016051218;CS-0219997;EN300-05503;Z56914802

Chemical Property of N-Benzyl-2-chloropropanamide

Chemical Property:

• Vapor Pressure: 1.31E-05mmHg at 25°C
• Melting Point: 80-82 °C
• Boiling Point: 368°Cat760mmHg
• PKA: 14.49±0.46(Predicted)
• Flash Point: 176.4°C
• PSA: 32.59000
• Density: 1.142g/cm³
• LogP: 2.77040
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 197.0607417
• Heavy Atom Count: 13
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

N-Benzyl-2-chloropropanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NCC1=CC=CC=C1)Cl

Technology Process of N-Benzyl-2-chloropropanamide

There total 5 articles about N-Benzyl-2-chloropropanamide 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: 97.0%

2-chloropropionyl chloride (7623-09-8) + benzylamine (100-46-9) → N-benzyl-2-chloropropionamide (24752-66-7)

Guidance literature:

With potassium carbonate; In dichloromethane; Heating;

DOI:10.1081/SCC-120030689

Reference yield: 92.0%

2-Chloropropionamide (27816-36-0) + benzylamine (100-46-9) → N-benzyl-2-chloropropionamide (24752-66-7)

Guidance literature:

With zirconocene dichloride; In cyclohexane; at 80 ℃; for 5h; Inert atmosphere; Sealed tube;

DOI:10.1039/c2cc37427g DOI:10.1039/c2cc37427g

Reference yield:

benzylamine (100-46-9) + 2-chloro-propanoic acid, ethyl ester (535-13-7) → N-benzyl-2-chloropropionamide (24752-66-7)

Guidance literature:

With aluminium trichloride; In toluene; Heating;

DOI:10.1016/S0968-0896(01)00006-2

upstream raw materials:

2-chloropropionyl chloride

benzylamine

2-chloro-propanoic acid, ethyl ester

2-Chloropropionamide

Downstream raw materials:

3-benzyl-5-methyl-1,3-oxazolidine-2,4-dione

N-benzyl-2-(n-butylthio)propanamide

N-4'-methylphenyl-2-(benzylthio)propanamide

N-benzyl-2-(phenylthio)propanamide

Refernces

• 1、 Chen, Yin,Hao, Chao,Liu, Bi-Feng,Liu, Xin,Ma, Ru,Ma, Yurong,Xiong, Jiaying,Xu, Junyi,Ye, Jiaqi,Zhang, Guisen,Zhang, Shuang,Zhuang, Tao. "Optimization of bifunctional piperidinamide derivatives as σ1R Antagonists/MOR agonists for treating neuropathic pain". . . Retrieved 2021/10/12.
• 2、 Sultani, Haider N.,Ghazal, Rasha A.,Hayallah, Alaa M.,Abdulrahman, Loay K.,Abu-Hammour, Khaled,AbuHammad, Shatha,Taha, Mutasem O.,Zihlif, Malek A.. "Inhibitory Effects of New Mercapto Xanthine Derivatives in Human mcf7 and k562 Cancer Cell Lines". supporting information. p. 450 - 456. Retrieved 2017/02/03.