4-Acetamidobenzoyl chloride

Base Information

• Chemical Name: 4-Acetamidobenzoyl chloride
• CAS No.: 16331-48-9
• Molecular Formula: C9H8 Cl N O2
• Molecular Weight: 197.621
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID70426632
• Wikidata: Q82239493
• Mol file: 16331-48-9.mol

Synonyms:4-ACETAMIDOBENZOYL CHLORIDE;16331-48-9;4-Acetamidobenzoylchloride;4-(acetylamino)benzoyl chloride;Benzoyl chloride, 4-(acetylamino)-;4-acetylaminobenzoyl chloride;SCHEMBL64499;DTXSID70426632;KRKXGCJUNKZXOY-UHFFFAOYSA-N;MFCD02094022;AKOS005207010;AS-47800;BP-10799;FT-0617380;F16187;A810468

Chemical Property of 4-Acetamidobenzoyl chloride

Chemical Property:

• Vapor Pressure: 3.33E-06mmHg at 25°C
• Melting Point: 180°C
• Refractive Index: 1.597
• Boiling Point: 387.3°Cat760mmHg
• PKA: 14.46±0.70(Predicted)
• Flash Point: 188°C
• PSA: 46.17000
• Density: 1.326g/cm³
• LogP: 2.09700
• Sensitive.: Moisture Sensitive
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 197.0243562
• Heavy Atom Count: 13
• Complexity: 210

Purity/Quality:

97% ^*data from raw suppliers

4-(Acetylamino)benzoyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: R34:Causes burns.
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)Cl
• Use Description: 4-ACETAMIDOBENZOYL CHLORIDE, also known as N-Acetyl-4-aminobenzoyl chloride, has diverse applications in different fields. In the pharmaceutical industry, it is used as a valuable reagent in the synthesis of various pharmaceutical compounds, including drugs and active pharmaceutical ingredients (APIs). Its role is crucial in the modification and functionalization of molecules, enabling the creation of new chemical entities with desired pharmacological properties. In the field of organic chemistry, it serves as a versatile building block for the synthesis of complex organic molecules, aiding in academic research and the development of novel chemical reactions. Moreover, it finds application in the manufacturing of dyes and pigments, where it plays a role in the creation of colorants for textiles and other materials. Its versatility as a chemical reagent underscores its importance in advancing pharmaceutical research, chemical synthesis, and colorant production across these industries.

Technology Process of 4-Acetamidobenzoyl chloride

There total 3 articles about 4-Acetamidobenzoyl chloride 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:

p-(acetylamino)benzoic acid (556-08-1) → 4-acetamidobenzoyl chloride (16331-48-9)

Guidance literature:

With chloroformic acid ethyl ester; triethylamine; In acetone; at 0 ℃; for 0.333333h;

DOI:10.1021/jm00109a005

Reference yield:

oxalyl dichloride (79-37-8) + p-(acetylamino)benzoic acid (556-08-1) → 4-acetamidobenzoyl chloride (16331-48-9)

Guidance literature:

With N,N-dimethyl-formamide; In tetrahydrofuran; at 0 - 20 ℃; for 2h; Concentration;

Reference yield:

→ 4-acetamidobenzoyl chloride (16331-48-9)

Guidance literature:

upstream raw materials:

p-(acetylamino)benzoic acid

oxalyl dichloride

Downstream raw materials:

4-acetylamino-benzoic acid-(2-methyl-4-oxo-4H-quinazolin-3-ylamide)

N-(4-acetylamino-benzoyl)-N'-(5-nitro-furan-2-carbonyl)-hydrazine

N-[4-(1,3-benzothiazol-2-yl)phenyl]acetamide

N-(4-hydroxymethylphenyl)acetamide