4-(2-nitrophenyl)benzoic Acid

Base Information

• Chemical Name: 4-(2-nitrophenyl)benzoic Acid
• CAS No.: 3215-92-7
• Molecular Formula: C13H9 N O4
• Molecular Weight: 243.219
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID50441469
• Nikkaji Number: J21.947I
• Wikidata: Q82258241
• Mol file: 3215-92-7.mol

Synonyms:3215-92-7;4-(2-nitrophenyl)benzoic Acid;2'-Nitro-[1,1'-biphenyl]-4-carboxylic acid;2'-nitro-4-biphenylcarboxylic acid;2'-nitrobiphenyl-4-carboxylic acid;2'-Nitro-[1,1'-biphenyl]-4-carboxylicacid;p-(o-Nitrophenyl)benzoic acid;SCHEMBL2349847;DTXSID50441469;XKGFCCZEXVIRQH-UHFFFAOYSA-N;2'-nitro-biphenyl-4-carboxylic acid;MFCD06208206;4-Biphenylcarboxylic acid, 2'-nitro-;AKOS015999281;AB92601;BS-28246;2'-Nitro[1,1'-biphenyl]-4-carboxylic acid;[1,1'-Biphenyl]-4-carboxylic acid, 2'-nitro-;A875687

Chemical Property of 4-(2-nitrophenyl)benzoic Acid

Chemical Property:

• Melting Point: 250 °C
• Boiling Point: 434.3±28.0 °C(Predicted)
• PKA: 3.99±0.10(Predicted)
• PSA: 83.12000
• Density: 1.358±0.06 g/cm3(Predicted)
• LogP: 3.48320
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 243.05315777
• Heavy Atom Count: 18
• Complexity: 317

Purity/Quality:

99%min ^*data from raw suppliers

2'-Nitro-[1,1'-biphenyl]-4-carboxylicacid 95+% ^*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=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Technology Process of 4-(2-nitrophenyl)benzoic Acid

There total 1 articles about 4-(2-nitrophenyl)benzoic 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: 36.0%

biphenyl-4-carboxylic acid (92-92-2) → 2'-nitrobiphenyl-4-carboxylic acid (3215-92-7) + 4'-nitro-biphenyl-4-carboxylic acid (92-89-7)

Guidance literature:

With nitric acid;

DOI:10.1016/S0960-894X(98)00433-8

Reference yield:

2'-nitrobiphenyl-4-carboxylic acid (3215-92-7) → 6-{[2'-(6-Benzyloxycarbonylamino-hexanoylamino)-biphenyl-4-carbonyl]-amino}-hexanoic acid (29513-42-6)

Guidance literature:

Multi-step reaction with 4 steps

1: SOCl₂, Py / Heating

2: aq. NaOH / tetrahydrofuran

3: H₂ / Pd-C / acetic acid

4: Py / CHCl₃

With pyridine; sodium hydroxide; thionyl chloride; hydrogen; palladium on activated charcoal; In tetrahydrofuran; chloroform; acetic acid;

Reference yield:

2'-nitrobiphenyl-4-carboxylic acid (3215-92-7) → 6-({2'-[6-(4-Chloro-benzyloxycarbonylamino)-hexanoylamino]-biphenyl-4-carbonyl}-amino)-hexanoic acid (28887-04-9)

Guidance literature:

Multi-step reaction with 4 steps

1: SOCl₂, Py / Heating

2: aq. NaOH / tetrahydrofuran

3: H₂ / Pd-C / acetic acid

4: Py / CHCl₃

With pyridine; sodium hydroxide; thionyl chloride; hydrogen; palladium on activated charcoal; In tetrahydrofuran; chloroform; acetic acid;

upstream raw materials:

biphenyl-4-carboxylic acid

Downstream raw materials:

methyl 2'-amino-[1,1'-biphenyl]-4-carboxylate

6-{[2'-(6-Benzyloxycarbonylamino-hexanoylamino)-biphenyl-4-carbonyl]-amino}-hexanoic acid

6-({2'-[6-(4-Chloro-benzyloxycarbonylamino)-hexanoylamino]-biphenyl-4-carbonyl}-amino)-hexanoic acid

6-({2'-[6-(Toluene-4-sulfonylamino)-hexanoylamino]-biphenyl-4-carbonyl}-amino)-hexanoic acid

Refernces