4-(3-formylphenyl)benzoic Acid

Base Information

• Chemical Name: 4-(3-formylphenyl)benzoic Acid
• CAS No.: 222180-23-6
• Molecular Formula: C14H10O3
• Molecular Weight: 226.232
• Hs Code.: 2918300090
• European Community (EC) Number: 655-178-8
• DSSTox Substance ID: DTXSID50383350
• Wikidata: Q82175023
• Pharos Ligand ID: WZW9AQZUSA7Z
• ChEMBL ID: CHEMBL4592980
• Mol file: 222180-23-6.mol

Synonyms:222180-23-6;4-(3-formylphenyl)benzoic Acid;3'-formyl-[1,1'-biphenyl]-4-carboxylic acid;3'-formyl[1,1'-biphenyl]-4-carboxylic acid;3'-formyl(1,1'-biphenyl)-4-carboxylic acid;3'-Formyl-biphenyl-4-carboxylic acid;CHEMBL4592980;SCHEMBL12152644;DTXSID50383350;XIA18023;MFCD04039069;AKOS000314411;PS-11127;BB 0220546;CS-0206072;FT-0756289;3'-formyl-[1,1'-biphenyl]-4-carboxylicacid;EN300-322011;F87851;A816023;Z1741966646

Chemical Property of 4-(3-formylphenyl)benzoic Acid

Chemical Property:

• Melting Point: 231 °C
• Boiling Point: 441.9 °C at 760 mmHg
• Flash Point: 235.2 °C
• PSA: 54.37000
• Density: 1.264 g/cm³
• LogP: 2.86430
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 226.062994177
• Heavy Atom Count: 17
• Complexity: 279

Purity/Quality:

98%min ^*data from raw suppliers

4-(3-Formylphenyl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C2=CC=C(C=C2)C(=O)O)C=O

Technology Process of 4-(3-formylphenyl)benzoic Acid

There total 5 articles about 4-(3-formylphenyl)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: 22.3%

methyl 3’-formyl-[1,1’-biphenyl]-4-carboxylate (221021-36-9) → 3’-formyl-[1,1’-biphenyl]-4-carboxylic acid (222180-23-6)

Guidance literature:

With water; lithium hydroxide; In tetrahydrofuran; at 20 ℃; for 18h; Solvent; Reagent/catalyst;

Reference yield:

m-bromobenzoic aldehyde (3132-99-8) + 4-carboxyphenylboronic acid (14047-29-1) → 3’-formyl-[1,1’-biphenyl]-4-carboxylic acid (222180-23-6)

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In water; acetonitrile; at 90 ℃; for 12h;

Reference yield:

4-iodobenzoic acid (619-58-9) + 3-Formylphenylboronic acid (87199-16-4) → 3’-formyl-[1,1’-biphenyl]-4-carboxylic acid (222180-23-6)

Guidance literature:

With potassium hydrogencarbonate; palladium dichloride; In water; N,N-dimethyl-formamide; at 85 ℃; for 24h; Inert atmosphere;

DOI:10.1002/poc.1839

upstream raw materials:

m-bromobenzoic aldehyde

4-carboxyphenylboronic acid

4-iodobenzoic acid

3-Formylphenylboronic acid

Downstream raw materials:

methyl 3’-formyl-[1,1’-biphenyl]-4-carboxylate

3'-Hydroxybiphenyl-4-carboxylic Acid

ethyl 2-butyl-3-[4-[2-(3'-formylbiphenyl-4-carbonylamino)ethoxy]phenyl]propionate

Refernces

• 1、 Hathway, Timothy,Chernyshov, Deborah Lipman,Jenks, William S.. "Selectivity in the photo-Fenton and photocatalytic hydroxylation of biphenyl-4-carboxylic acid and derivatives (viz. 4-phenylsalicylic acid and 5-phenylsalicylic acid)". supporting information. p. 1151 - 1156. Retrieved 2013/01/09.