3-chloro-N-isopropylpropanamide

Base Information

• Chemical Name: 3-chloro-N-isopropylpropanamide
• CAS No.: 22813-48-5
• Molecular Formula: C6H12ClNO
• Molecular Weight: 149.62
• Hs Code.: 2924199090
• European Community (EC) Number: 860-850-0
• DSSTox Substance ID: DTXSID20410980
• Wikidata: Q82217383
• Mol file: 22813-48-5.mol

Synonyms:3-chloro-N-isopropylpropanamide;22813-48-5;3-chloro-N-propan-2-ylpropanamide;3-chloro-N-(propan-2-yl)propanamide;Propanamide, 3-chloro-N-(1-methylethyl)-;SCHEMBL11476877;DTXSID20410980;MFCD02973945;AKOS000139515;BS-36786;CS-0246585;FT-0683428;EN300-33339;J-014868;Z239813378

Chemical Property of 3-chloro-N-isopropylpropanamide

Chemical Property:

• Vapor Pressure: 0.00661mmHg at 25°C
• Boiling Point: 271oC at 760 mmHg
• Flash Point: 117.7oC
• PSA: 29.10000
• Density: 1.029g/cm3
• LogP: 1.53080
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 149.0607417
• Heavy Atom Count: 9
• Complexity: 93.1

Purity/Quality:

98%min ^*data from raw suppliers

3-chloro-N-isopropylpropanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NC(=O)CCCl

Technology Process of 3-chloro-N-isopropylpropanamide

There total 1 articles about 3-chloro-N-isopropylpropanamide 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:

isopropylamine (75-31-0) + 2-chloropropionyl chloride (625-36-5) → 3-chloro-propionic acid isopropylamide (22813-48-5)

Guidance literature:

With sodium hydroxide; 1,2-dichloro-ethane;

DOI:10.1021/ja01604a047

Reference yield:

3-chloro-propionic acid isopropylamide (22813-48-5) + triethylamine (121-44-8) → N-Isopropylacrylamide (2210-25-5)

Guidance literature:

With copper; at 140 ℃;

upstream raw materials:

isopropylamine

2-chloropropionyl chloride

Downstream raw materials:

N-Isopropylacrylamide