4-Acetylaminobiphenyl

Base Information

• Chemical Name: 4-Acetylaminobiphenyl
• CAS No.: 4075-79-0
• Molecular Formula: C14H13NO
• Molecular Weight: 211.263
• Hs Code.: 2924299090
• European Community (EC) Number: 817-898-2
• NSC Number: 227192,65931,3134
• UNII: U9BHQ2TJ87
• DSSTox Substance ID: DTXSID8039243
• Nikkaji Number: J2.205E
• Wikidata: Q27290959
• ChEMBL ID: CHEMBL300429
• Mol file: 4075-79-0.mol

Synonyms:4-acetylaminobiphenyl

Chemical Property of 4-Acetylaminobiphenyl

Chemical Property:

• Vapor Pressure: 3.07E-07mmHg at 25°C
• Melting Point: 172oC
• Refractive Index: 1.5780 (estimate)
• Boiling Point: 419.3°C at 760 mmHg
• Flash Point: 251.4°C
• PSA: 29.10000
• Density: 1.124g/cm³
• LogP: 3.38500
• Storage Temp.: Refrigerator
• Solubility.: Chloroform, Methanol
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 211.099714038
• Heavy Atom Count: 16
• Complexity: 225

Purity/Quality:

99% ^*data from raw suppliers

N-Acetyl-4-aminobiphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Aromatics (Nitrogen)
• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)C2=CC=CC=C2
• Uses: N-Acetyl-4-aminobiphenyl is a metabolite of 4-Aminobiphenyl, a procarcinogenic agent.

Technology Process of 4-Acetylaminobiphenyl

There total 8 articles about 4-Acetylaminobiphenyl 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:

8-methylguanosine (36799-17-4) + N-(4-Biphenylyl)-O-pivaloylhydroxylamin (119273-48-2) → 4-hydroxy-4-phenyl-cyclohexa-2,5-dienone (42860-77-5) + 4-phenylacetanilide (4075-79-0) + 4-phenylalanine (92-67-1) + 2-Amino-8-(biphenyl-4-ylamino)-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-8-methyl-1,7,8,9-tetrahydro-purin-6-one

Guidance literature:

With water; In acetonitrile; at 20 ℃; Rate constant; Mechanism;

DOI:10.1021/ja970698p

Reference yield:

4-bromoacetanilide (103-88-8) + argon + johnphos (224311-51-7) + phenylboronic acid (98-80-6) → 4-phenylacetanilide (4075-79-0)

Guidance literature:

With potassium fluoride; palladium diacetate; In tetrahydrofuran;

Reference yield:

GLUTATHIONE (70-18-8) + N-acetyl-N-(sulfonatooxy)-4-aminobiphenyl → 4-phenylacetanilide (4075-79-0) + N-(Pivaloyloxy)-2-(acetylamino)fluorene (153524-18-6) + 4-(N-acetylamino)-4'-(glutathion-S-yl)biphenyl + 4-(N-acetylamino)-3-(glutathion-S-yl)biphenyl (174156-04-8) + (E)-4-(4-acetylamino)-2-(glutathion-S-yl)-1-phenyl-3,5-cyclohexadien-1-ol

Guidance literature:

With sodium perchlorate; In acetonitrile; at 20 ℃; Rate constant; Product distribution; pH = 8.5 - 9.0;

DOI:10.1021/ja9534563

upstream raw materials:

N-chloro-4-(acetylamino)biphenyl

4-phenylalanine

2,4-dinitrophenyl acetate

N,N-dimethyl-aniline

Downstream raw materials:

2-(4'-acetylamino-biphenyl-4-carbonyl)-benzoic acid

N,N'-bis-biphenyl-4,4'-diyl-N,N'-p-phenylene-bis-acetamide

bis(biphenyl-4-yl)amine

N-Acetyl-3-chloro-4-aminobiphenyl

Refernces

• 1、 -. "Ligands for metals and improved metal-catalyzed processes based thereon". . . Retrieved 2008/06/13.
• 2、 -. "Ligands for metals and improved metal-catalyzed processes based thereon". . . Retrieved 2008/06/13.