2-chloro-N-phenylpropanamide

Base Information

• Chemical Name: 2-chloro-N-phenylpropanamide
• CAS No.: 21262-52-2
• Molecular Formula: C9H10ClNO
• Molecular Weight: 183.637
• Hs Code.: 2924299090
• European Community (EC) Number: 800-229-3
• NSC Number: 99819
• DSSTox Substance ID: DTXSID10295127
• Nikkaji Number: J29.479I
• Wikidata: Q82034864
• Metabolomics Workbench ID: 100011
• Mol file: 21262-52-2.mol

Synonyms:2-chloro-N-phenylpropanamide;21262-52-2;2'-chloropropionanilide;2-Chloro-N-phenyl-propionamide;N-phenyl-2-chloropropanamide;NSC99819;2-chloro-N-phenylpropionamide;N-(2-Chloropropionyl)aniline;SCHEMBL2516508;DTXSID10295127;Propanamide, 2-chloro-N-phenyl-;alpha-chloro-alpha-methylacetanilide;AMY39730;MFCD03988533;NSC-99819;STK417947;AKOS000264592;AKOS016345337;MG-0201;BB 0243247;CS-0307722;EN300-05743;E78480;Z56921786;4H-Pyrazolo[3,4-d]pyrimidin-4-one,1,5-dihydro-6-phenyl-

Chemical Property of 2-chloro-N-phenylpropanamide

Chemical Property:

• Vapor Pressure: 8.72E-05mmHg at 25°C
• Refractive Index: 1.576
• Boiling Point: 340.232 °C at 760 mmHg
• Flash Point: 159.567 °C
• PSA: 29.10000
• Density: 1.218 g/cm³
• LogP: 2.32540
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 183.0450916
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

98%min ^*data from raw suppliers

2-Chloro-N-phenylpropanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NC1=CC=CC=C1)Cl

Technology Process of 2-chloro-N-phenylpropanamide

There total 12 articles about 2-chloro-N-phenylpropanamide 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: 99.0%

2-chloropropionyl chloride (7623-09-8) + aniline (62-53-3) → 2-chloro-N-phenylpropanamide (21262-52-2)

Guidance literature:

With 1-methyl-1H-imidazole; N,N,N,N,-tetramethylethylenediamine; potassium carbonate; In acetonitrile; at 0 - 5 ℃; for 1h;

DOI:10.1016/j.tet.2007.08.117

Reference yield: 84.5%

→ 2-chloro-N-phenylpropanamide (21262-52-2)

Guidance literature:

Reference yield: 70.0%

aniline (62-53-3) + (R,S)-2-chloropropionic acid (598-78-7) → 2-chloro-N-phenylpropanamide (21262-52-2)

Guidance literature:

With activated K₆₀ silica gel; In toluene; at 110 ℃; for 24h;

DOI:10.1039/b901581g

upstream raw materials:

lactanilide

2-chloro-propionyl isothiocyanate

aniline

2-chloropropionyl chloride

Downstream raw materials:

N-(4-bromophenyl)-2-chloropropanamide

2-(6-Methoxy-2,2-dimethyl-4-oxo-chroman-7-yloxy)-N-phenyl-propionamide

N-Isopropylaniline

diethyl (1-oxo-1-(phenyl-amino)propan-2-yl)phosphonate