N-[5-Chloro-2-(chloroacetyl)phenyl]acetamide

Base Information

• Chemical Name: N-[5-Chloro-2-(chloroacetyl)phenyl]acetamide
• CAS No.: 68095-20-5
• Molecular Formula: C10H9Cl2NO2
• Molecular Weight: 246.08996
• DSSTox Substance ID: DTXSID20499770
• Wikidata: Q82350842
• Mol file: 68095-20-5.mol

Synonyms:68095-20-5;N-[5-Chloro-2-(chloroacetyl)phenyl]acetamide;N-Acetyl-1-(2'-Amino-2,4'-dichlorophenyl)ethan-1-one;N-[5-chloro-2-(2-chloroacetyl)phenyl]acetamide;N-(5-chloro-2-(2-chloroacetyl)phenyl)acetamide;DTXSID20499770;N-Acetyl-1-(2 inverted exclamation mark -Amino-2,4 inverted exclamation mark -dichlorophenyl)ethan-1-one;FT-0661173

Chemical Property of N-[5-Chloro-2-(chloroacetyl)phenyl]acetamide

Chemical Property:

• PSA: 49.66000
• LogP: 3.36940
• Solubility.: Chloroform, Dichloromethane, Ethyl Acetate
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 245.0010339
• Heavy Atom Count: 15
• Complexity: 258

Purity/Quality:

99% ^*data from raw suppliers

N-Acetyl-1-(2’-Amino-2,4’-dichlorophenyl)ethan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=C(C=CC(=C1)Cl)C(=O)CCl
• Uses: Kynurenine (K661000) derivatives.

Technology Process of N-[5-Chloro-2-(chloroacetyl)phenyl]acetamide

There total 2 articles about N-[5-Chloro-2-(chloroacetyl)phenyl]acetamide 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: 13.0%

acetic anhydride (108-24-7) + chloroacetonitrile (107-14-2) + 3-chloro-aniline (108-42-9) → N-[5-Chloro-2-(2-chloro-acetyl)-phenyl]-acetamide (68095-20-5) + N-[3-Chloro-2-(2-chloro-acetyl)-phenyl]-acetamide (68095-21-6)

Guidance literature:

chloroacetonitrile; 3-chloro-aniline; With aluminum (III) chloride; boron trichloride - methyl sulfide complex; In 1,2-dichloro-ethane;

acetic anhydride; at 80 ℃; for 0.5h;

DOI:10.1016/j.bmc.2010.06.040

Reference yield:

→ N-[5-Chloro-2-(2-chloro-acetyl)-phenyl]-acetamide (68095-20-5)

Guidance literature:

4-Chlor-2-amino-α-chloracetophenon (4f), Essigsaeureanhydrid;

DOI:10.1021/jo01318a021

Reference yield: 93.0%

N-[5-Chloro-2-(2-chloro-acetyl)-phenyl]-acetamide (68095-20-5) → 1-(2-amino-4-chlorophenyl)-2-chloroethan-1-one (64605-37-4)

Guidance literature:

N-[5-Chloro-2-(2-chloro-acetyl)-phenyl]-acetamide; With hydrogenchloride; water; In ethanol; for 1h; Reflux;

With sodium hydroxide; In ethanol; water; pH=Ca. 9;

DOI:10.1016/j.bmc.2010.06.040

upstream raw materials:

acetic anhydride

chloroacetonitrile

3-chloro-aniline

Downstream raw materials:

1-(2-amino-4-chlorophenyl)-2-chloroethan-1-one

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