4-Nitro-2-phenylbenzoic acid

Base Information

• Chemical Name: 4-Nitro-2-phenylbenzoic acid
• CAS No.: 124391-60-2
• Molecular Formula: C13 H9NO4
• Molecular Weight: 243.219
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID60443156
• Nikkaji Number: J1.501.369I
• Wikidata: Q82260868
• Mol file: 124391-60-2.mol

Synonyms:124391-60-2;4-NITRO-2-PHENYLBENZOIC ACID;5-nitro-biphenyl-2-carboxylic acid;5-Nitro-2-biphenylcarboxylic acid;5-Nitro-[1,1'-biphenyl]-2-carboxylic acid;p-nitrophenylbenzoic acid;SCHEMBL630072;DTXSID60443156;ZEBINUQQXMHHJE-UHFFFAOYSA-N;5-Nitrobiphenyl-2-carboxylic acid;ZEA39160;MFCD12913660;SB32141;AS-47475;5-Nitro-[1,1'-biphenyl]-2-carboxylicacid;CS-0341545;F13857

Chemical Property of 4-Nitro-2-phenylbenzoic acid

Chemical Property:

• PSA: 83.12000
• LogP: 3.48320
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 243.05315777
• Heavy Atom Count: 18
• Complexity: 319

Purity/Quality:

97% ^*data from raw suppliers

5-Nitro-biphenyl-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O

Technology Process of 4-Nitro-2-phenylbenzoic acid

There total 11 articles about 4-Nitro-2-phenylbenzoic acid 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: 100.0%

4-Nitro-2-phenyltoluene (13480-38-1) → 4-Nitro-2-phenylbenzoic acid (124391-60-2)

Guidance literature:

With potassium permanganate;

DOI:10.1016/S0960-894X(01)00055-5

Reference yield: 98.0%

2-Formyl-5-nitrobiphenyl (124391-58-8) → 4-Nitro-2-phenylbenzoic acid (124391-60-2)

Guidance literature:

With potassium permanganate; In acetone; for 4h; Ambient temperature;

DOI:10.1055/s-1989-27189

Reference yield: 29.0%

iodobenzene (591-50-4) + 4-nitro-benzoic acid (62-23-7) → 4-Nitro-2-phenylbenzoic acid (124391-60-2)

Guidance literature:

With 1,1,1,3',3',3'-hexafluoro-propanol; palladium diacetate; caesium carbonate; silver carbonate; at 30 ℃; for 36h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.joc.8b00417

upstream raw materials:

2-Formyl-5-nitrobiphenyl

4-Nitro-2-phenyltoluene

acetic acid

2-bromo-4-nitrotoluene

Downstream raw materials:

[4-(3-pyridylmethylamino)-2-phenylbenzoyl]homoserine lactone

5-nitro-biphenyl-2-carboxylic acid cyclohexyl ester

9-hydroxy-3-nitrofluorene

(S)-2-{[5-((R)-2-tert-Butoxycarbonylamino-3-tritylsulfanyl-propylamino)-biphenyl-2-carbonyl]-amino}-4-methyl-pentanoic acid methyl ester