2'-Hydroxy-[1,1'-biphenyl]-3-carboxylic acid

Base Information

• Chemical Name: 2'-Hydroxy-[1,1'-biphenyl]-3-carboxylic acid
• CAS No.: 893736-72-6
• Molecular Formula: C13H10 O3
• Molecular Weight: 214.221
• Hs Code.: 2922299090
• UNII: Y37QLH5QGB
• ChEMBL ID: CHEMBL4165953
• DSSTox Substance ID: DTXSID90602491
• Nikkaji Number: J111.180I
• Wikidata: Q82499593
• Mol file: 893736-72-6.mol

Synonyms:893736-72-6;2'-Hydroxy-[1,1'-biphenyl]-3-carboxylic acid;2'-hydroxybiphenyl-3-carboxylic acid;3-(2-HYDROXYPHENYL)BENZOIC ACID;2'-Hydroxy[1,1'-biphenyl]-3-carboxylic acid;Y37QLH5QGB;MFCD06802571;2'-Hydroxy(1,1'-biphenyl)-3-carboxylic acid;(1,1'-Biphenyl)-3-carboxylic acid, 2'-hydroxy-;[1,1'-Biphenyl]-3-carboxylic acid, 2'-hydroxy-;UNII-Y37QLH5QGB;2'-Hydroxy-[1,1'-biphenyl]-3-carboxylicacid;SCHEMBL442496;CHEMBL4165953;DTXSID90602491;GEO-01508;AKOS004118973;2''-Hydroxybiphenyl-3-carboxylic Acid;BS-25262;SY211441;DB-078399;CS-0208212;EN300-267100;A861216;2 inverted exclamation mark -Hydroxy-[1,1 inverted exclamation mark -biphenyl]-3-carboxylic Acid;AUV

Chemical Property of 2'-Hydroxy-[1,1'-biphenyl]-3-carboxylic acid

Chemical Property:

• PSA: 57.53000
• LogP: 2.75740
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 214.062994177
• Heavy Atom Count: 16
• Complexity: 252

Purity/Quality:

97% ^*data from raw suppliers

2''-Hydroxybiphenyl-3-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=CC(=CC=C2)C(=O)O)O

Technology Process of 2'-Hydroxy-[1,1'-biphenyl]-3-carboxylic acid

There total 4 articles about 2'-Hydroxy-[1,1'-biphenyl]-3-carboxylic 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: 94.0%

m-bromobenzoic acid (585-76-2) + 2-hydroxyphenyl boronic acid (89466-08-0) → 2′-hydroxy[1,1-biphenyl]-3-carboxylic acid (893736-72-6)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; potassium phosphate; In 1,4-dioxane; water; at 95 ℃; Inert atmosphere;

DOI:10.1016/j.ejmech.2017.12.085

Reference yield: 80.0%

3′-amino-2′-hydroxy biphenyl-3-carboxylic acid (376592-93-7) → 2′-hydroxy[1,1-biphenyl]-3-carboxylic acid (893736-72-6)

Guidance literature:

3′-amino-2′-hydroxy biphenyl-3-carboxylic acid; With hydrogenchloride; sodium nitrite; In methanol; water; at 0 - 5 ℃; for 1h;

With hypophosphorous acid; In methanol; water; at 0 - 70 ℃;

DOI:10.14233/ajchem.2021.22951

Reference yield: 5.0%

→ 2′-hydroxy[1,1-biphenyl]-3-carboxylic acid (893736-72-6)

Guidance literature:

With palladium-catalysed synthesis; In toluene; at 150 ℃; for 0.0833333h; Inert atmosphere;

upstream raw materials:

m-bromobenzoic acid

2-hydroxyphenyl boronic acid

3-carboxyphenylboronic acid pinacol ester

2-Iodophenol

Downstream raw materials:

2'-hydroxy-3'-nitro-biphenyl-3-carboxylic acid

methyl 2'-hydroxybiphenyl-3-carboxylate

benzyl N-[(10S,12S,16S)-12-amino-20-methyl-15,21-dioxo-8-oxa-14,20-diazatetracyclo[20.3.1.0^2,7.0^10,14]hexacosa-1⁽²⁶⁾,2,4,6,22,24-hexaen-16-yl]carbamate hydrochloride

benzyl N-[(10S,12S,16S)-20-methyl-12-{[2-(2-naphthyl)acetyl]amino}-15,21-dioxo-8-oxa-14,20-diazatetracyclo[20.3.1.0²'⁷.0¹⁰¹⁴]hexacosa-1⁽²⁶⁾,2,4,6,22,24-hexaen-16-yl]carbamate