3-Phenylsalicylic acid

Base Information

• Chemical Name: 3-Phenylsalicylic acid
• CAS No.: 304-06-3
• Molecular Formula: C13H10 O3
• Molecular Weight: 214.221
• Hs Code.: 2922299090
• European Community (EC) Number: 206-148-4
• NSC Number: 109101,1886
• UNII: 3327W9W36P
• DSSTox Substance ID: DTXSID1059787
• Nikkaji Number: J48.325G
• Wikidata: Q69755191
• ChEMBL ID: CHEMBL229466
• Mol file: 304-06-3.mol

Synonyms:2-hydroxybiphenyl-3-carboxylic acid;3-phenylsalicylate;3-phenylsalicylic acid;HBPA acid

Chemical Property of 3-Phenylsalicylic acid

Chemical Property:

• Vapor Pressure: 6.94E-07mmHg at 25°C
• Melting Point: 186°C
• Refractive Index: 1.5090 (estimate)
• Boiling Point: 393.1 °C at 760 mmHg
• PKA: 2.84±0.10(Predicted)
• Flash Point: 205.7 °C
• PSA: 57.53000
• Density: 1.292 g/cm³
• LogP: 2.75740
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 214.062994177
• Heavy Atom Count: 16
• Complexity: 246

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Phenylsalicylic Acid >98.0%(T) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(C(=CC=C2)C(=O)O)O
• Uses: 2''-Hydroxybiphenyl-3-carboxylic Acid can be used as antibacterial agents.

Technology Process of 3-Phenylsalicylic acid

There total 11 articles about 3-Phenylsalicylic 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: 40.0%

carbon dioxide (124-38-9,18923-20-1) + sodium 2-biphenylate (132-27-4) → 3-phenylsalicylic acid (304-06-3)

Guidance literature:

at 190 ℃; for 24h; under 15200 Torr;

DOI:10.1016/S0040-4039(03)00346-0

Reference yield:

2-Phenylphenol (90-43-7,287950-96-3) → 3-phenylsalicylic acid (304-06-3)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃; benzene / anschliessende Hydrolyse

2: potassium hydroxide

With potassium hydroxide; aluminium trichloride; benzene;

Reference yield:

C21H26O3Si → 3-phenylsalicylic acid (304-06-3)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; for 0.5h; Inert atmosphere;

DOI:10.1002/anie.201410375

upstream raw materials:

2-hydroxy-3-phenylbenzaldehyde

methylammonium carbonate

2-Phenylphenol

carbon dioxide

Downstream raw materials:

2-hydroxy-biphenyl-3-carboxylic acid phenyl ester

3-phenyl-5-bromosalicylic acid

3-Cyclohexylsalicylic acid

2-hydroxy-biphenyl-3-carboxylic acid anilide

Refernces

• 1、 Dunne, Aideen M.,Mix, Stefan,Blechert, Siegfried. "A highly efficient olefin metathesis initiator: Improved synthesis and reactivity studies". . p. 2733 - 2736. Retrieved 2007/10/03.