N-(4-Acetylphenyl)-2-chloroacetamide

Base Information

• Chemical Name: N-(4-Acetylphenyl)-2-chloroacetamide
• CAS No.: 38283-38-4
• Molecular Formula: C10H10ClNO2
• Molecular Weight: 211.648
• Hs Code.: 2924299090
• European Community (EC) Number: 620-600-1
• DSSTox Substance ID: DTXSID90352888
• Nikkaji Number: J2.348.376I
• Wikidata: Q82130297
• Mol file: 38283-38-4.mol

Synonyms:N-(4-acetylphenyl)-2-chloroacetamide

Chemical Property of N-(4-Acetylphenyl)-2-chloroacetamide

Chemical Property:

• Melting Point: 153-155 °C(lit.)
• Boiling Point: 421.4 °C at 760 mmHg
• Flash Point: 208.7 °C
• PSA: 46.17000
• Density: 1.279 g/cm³
• LogP: 2.13950
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 211.0400063
• Heavy Atom Count: 14
• Complexity: 222

Purity/Quality:

99% ^*data from raw suppliers

N-(4-Acetylphenyl)-2-chloroacetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-(4-Acetylphenyl)-2-chloroacetamide

There total 5 articles about N-(4-Acetylphenyl)-2-chloroacetamide 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: 98.0%

p-aminobenzophenone (99-92-3) + chloroacetyl chloride (79-04-9) → 4-(2-chloroacetamido)acetophenone (38283-38-4)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 20 ℃; for 0.333333h; Inert atmosphere;

DOI:10.1002/cmdc.202000994

Reference yield:

p-aminobenzophenone (99-92-3) + Chloroacetic anhydride (541-88-8) → 4-(2-chloroacetamido)acetophenone (38283-38-4)

Guidance literature:

In tetrahydrofuran; at 20 ℃;

DOI:10.1016/j.taap.2019.114692

Reference yield:

p-aminobenzophenone (99-92-3) → 4-(2-chloroacetamido)acetophenone (38283-38-4)

Guidance literature:

Multi-step reaction with 2 steps

1: Heating

2: other N-arylidine-p-aminoacetophenone

upstream raw materials:

p-aminobenzophenone

chloroacetyl chloride

1-(4-{[(4-chlorophenyl)methylene]amino}phenyl)ethanone

Chloroacetic anhydride

Downstream raw materials:

H-Gly-NHPh(p-Ac)

N,N-diethyl-glycine-(4-acetyl-anilide)

N-(4-Acetyl-phenyl)-2-piperidin-1-yl-acetamide

N-(4-Acetyl-phenyl)-2-morpholin-4-yl-acetamide

Refernces

• 1、 Voos, Katrin,Sch?nauer, Esther,Alhayek, Alaa,Haupenthal, J?rg,Andreas, Anastasia,Müller, Rolf,Hartmann, Rolf W.,Brandstetter, Hans,Hirsch, Anna K. H.,Ducho, Christian. "Phosphonate as a Stable Zinc-Binding Group for “Pathoblocker” Inhibitors of Clostridial Collagenase H (ColH)". . p. 1257 - 1267. Retrieved 2021/03/24.
• 2、 Abdel Gawad, Nagwa M.,El Kerdawy, Ahmed M.,George, Riham F.,Georgey, Hanan H.,Mohamed, Abdalla R.. "Design, synthesis and in silico insights of new 7,8-disubstituted-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione derivatives with potent anticancer and multi-kinase inhibitory activities". . . Retrieved 2021/01/04.