3-chloro-N-(2-chlorophenyl)propanamide

Base Information

• Chemical Name: 3-chloro-N-(2-chlorophenyl)propanamide
• CAS No.: 21261-72-3
• Molecular Formula: C9H9Cl2NO
• Molecular Weight: 218.083
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID60408841
• Wikidata: Q82214449
• Mol file: 21261-72-3.mol

Synonyms:3-chloro-N-(2-chlorophenyl)propanamide;21261-72-3;SCHEMBL8556893;DTXSID60408841;MFCD02973949;AKOS000263169;LS-05194;CS-0215533;FT-0684041;EN300-25804;Z217707118

Chemical Property of 3-chloro-N-(2-chlorophenyl)propanamide

Chemical Property:

• Vapor Pressure: 5.97E-06mmHg at 25°C
• Boiling Point: 379.2oC at 760 mmHg
• Flash Point: 183.1oC
• PSA: 29.10000
• Density: 1.343g/cm3
• LogP: 2.98040
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 217.0061193
• Heavy Atom Count: 13
• Complexity: 175

Purity/Quality:

98%min ^*data from raw suppliers

3-Chloro-N-(2-chlorophenyl)propanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-chloro-N-(2-chlorophenyl)propanamide

There total 3 articles about 3-chloro-N-(2-chlorophenyl)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: 90.0%

8-chloro-6-mercapto-1,2,3,4-tetrahydroquinolin-2-one + o-chloroaniline (95-51-2) + 2-chloropropionyl chloride (625-36-5) → 8-chloro-3,4-dihydro-2(1H)-quinolinone (83229-23-6) + 3-chloro-propionic acid-(2-chloro-anilide) (21261-72-3)

Guidance literature:

In dichloromethane;

Reference yield: 47.0%

o-chloroaniline (95-51-2) + 2-chloropropionyl chloride (625-36-5) → 3-chloro-propionic acid-(2-chloro-anilide) (21261-72-3)

Guidance literature:

With acetic acid; at 0 - 20 ℃; for 1.5h;

DOI:10.1016/S0014-827X(01)01197-1

Reference yield:

3-chloropropionylisothiocyanate (19565-19-6) + o-chloroaniline (95-51-2) → 3-chloro-propionic acid-(2-chloro-anilide) (21261-72-3)

Guidance literature:

In benzene; Ambient temperature;

upstream raw materials:

o-chloroaniline

2-chloropropionyl chloride

3-chloropropionylisothiocyanate

Downstream raw materials:

3-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(2-chlorophenyl)propanamide

C₁₁H₁₁ClN₄OS

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