1-(4-Aminophenyl)-2-chloroethanone

Base Information

• Chemical Name: 1-(4-Aminophenyl)-2-chloroethanone
• CAS No.: 2631-71-2
• Molecular Formula: C8H8 Cl N O
• Molecular Weight: 169.611
• Hs Code.: 2922399090
• DSSTox Substance ID: DTXSID20484803
• Wikidata: Q82323461
• Mol file: 2631-71-2.mol

Synonyms:1-(4-Aminophenyl)-2-chloroethanone;2631-71-2;1-(4-Amino-phenyl)-2-chloro-ethanone;ethanone, 1-(4-aminophenyl)-2-chloro- (9ci);1-(4-aminophenyl)-2-chloroethan-1-one;p-aminophenacyl chloride;SCHEMBL5317014;DTXSID20484803;CAA63171;AKOS004123209;SB36278;Ethanone, 1-(4-aminophenyl)-2-chloro-;CS-0450499;A919605

Chemical Property of 1-(4-Aminophenyl)-2-chloroethanone

Chemical Property:

• Melting Point: 146 °C
• Boiling Point: 342.7±17.0 °C(Predicted)
• PKA: 1.72±0.10(Predicted)
• PSA: 43.09000
• Density: 1.259±0.06 g/cm3(Predicted)
• LogP: 2.27150
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 169.0294416
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

99%, ^*data from raw suppliers

1-(4-Amino-phenyl)-2-chloro-ethanone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CCl)N

Technology Process of 1-(4-Aminophenyl)-2-chloroethanone

There total 6 articles about 1-(4-Aminophenyl)-2-chloroethanone 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: 62.0%

chloroacetyl chloride (79-04-9) + aniline (62-53-3) → 4-aminophenacyl chloride (2631-71-2) + N-chloroacetyl-aniline (587-65-5)

Guidance literature:

With zinc; at 20 ℃; Sonication; Neat (no solvent);

DOI:10.1016/j.ultsonch.2011.03.023

Reference yield:

6N-sulfuric acid + N-[4-(chloroacetyl)phenyl]acetamide (140-49-8) + water (7732-18-5) → 4-aminophenacyl chloride (2631-71-2)

Guidance literature:

With sodium carbonate; In methanol;

Reference yield:

N-[4-(chloroacetyl)phenyl]acetamide (140-49-8) → 4-aminophenacyl chloride (2631-71-2)

Guidance literature:

upstream raw materials:

N-[4-(chloroacetyl)phenyl]acetamide

Acetanilid

water

chloroacetyl chloride

Downstream raw materials:

4-(4-methoxy-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)-aniline

4-[4-(4-amino-phenyl)-thiazol-2-ylazo]-benzenesulfonic acid amide

Refernces

• 1、 -. "Thiadiazinone derivatives". . . Retrieved 2008/06/13.