2-chloro-N-(1-phenylethyl)propanamide

Base Information

• Chemical Name: 2-chloro-N-(1-phenylethyl)propanamide
• CAS No.: 40023-41-4
• Molecular Formula: C11H14ClNO
• Molecular Weight: 0
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID80396630
• Mol file: 40023-41-4.mol

Synonyms:2-chloro-N-(1-phenylethyl)propanamide;40023-41-4;DTXSID80396630;AKOS000263627;AKOS016881295;EN300-08446;SR-01000050415;SR-01000050415-1;Z56968548

Chemical Property of 2-chloro-N-(1-phenylethyl)propanamide

Chemical Property:

• Vapor Pressure: 1.67E-05mmHg at 25°C
• Boiling Point: 364.6°C at 760 mmHg
• Flash Point: 174.3°C
• PSA: 32.59000
• Density: 1.112g/cm³
• LogP: 3.33140
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 211.0763918
• Heavy Atom Count: 14
• Complexity: 190

Purity/Quality:

99% ^*data from raw suppliers

2-CHLORO-N-(1-PHENYLETHYL)PROPANAMIDE 95.00% ^*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)C(C)Cl

Technology Process of 2-chloro-N-(1-phenylethyl)propanamide

There total 6 articles about 2-chloro-N-(1-phenylethyl)propanamide 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:

2-chloropropionyl chloride (7623-09-8) + rac-methylbenzylamine (618-36-0) → (+/-)-N-1'-phenylethyl-2-chloropropanamide (40023-41-4)

Guidance literature:

DOI:10.1021/ja01604a047

Reference yield:

rac-methylbenzylamine (618-36-0) + 2-chloro-propanoic acid, ethyl ester (535-13-7) → (S)-2-Chloro-N-((S)-1-phenyl-ethyl)-propionamide (40023-41-4) + (R)-2-Chloro-N-((S)-1-phenyl-ethyl)-propionamide (40023-41-4) + (S)-2-Chloro-N-((R)-1-phenyl-ethyl)-propionamide (40023-41-4) + (R)-2-Chloro-N-((R)-1-phenyl-ethyl)-propionamide (40023-41-4)

Guidance literature:

In various solvent(s); at 25 ℃; for 24h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; subtilisin protease;

DOI:10.1039/c39900001386

Reference yield:

rac-methylbenzylamine (618-36-0) + 2-chloro-propanoic acid, ethyl ester (535-13-7) → (S)-2-Chloro-N-((S)-1-phenyl-ethyl)-propionamide (40023-41-4) + (R)-2-Chloro-N-((S)-1-phenyl-ethyl)-propionamide (40023-41-4) + (S)-2-Chloro-N-((R)-1-phenyl-ethyl)-propionamide (40023-41-4) + (R)-2-Chloro-N-((R)-1-phenyl-ethyl)-propionamide (40023-41-4)

Guidance literature:

In various solvent(s); at 25 ℃; for 24h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; subtilisin protease;

DOI:10.1039/c39900001386

upstream raw materials:

2-chloropropionyl chloride

rac-methylbenzylamine

2-chloro-propanoic acid, ethyl ester

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