4'-Hydroxy-4-biphenylcarboxylic acid

Base Information

• Chemical Name: 4'-Hydroxy-4-biphenylcarboxylic acid
• CAS No.: 58574-03-1
• Molecular Formula: C13H10O3
• Molecular Weight: 214.221
• Hs Code.: 29163990
• European Community (EC) Number: 628-295-7
• NSC Number: 179419
• DSSTox Substance ID: DTXSID60306717
• Nikkaji Number: J208.616F
• Wikidata: Q63409165
• ChEMBL ID: CHEMBL90522
• Mol file: 58574-03-1.mol

Synonyms:58574-03-1;4'-Hydroxy-4-biphenylcarboxylic acid;4-(4-Hydroxyphenyl)benzoic acid;4'-Hydroxybiphenyl-4-carboxylic Acid;4'-Hydroxy-[1,1'-biphenyl]-4-carboxylic acid;4-Hydroxy-4'-biphenylcarboxylic acid;4'-Hydroxy biphenyl-4-carboxylic acid;[1,1'-Biphenyl]-4-carboxylic acid, 4'-hydroxy-;MFCD00059078;4-Hydroxybiphenyl-4'-carboxylic acid;CHEMBL90522;4'-Hydroxy[1,1'-biphenyl]-4-carboxylic acid;4-(4'-hydroxyphenyl)benzoic acid;4'-Hydroxy-biphenyl-4-carboxylic acid;NSC179419;Oprea1_635193;SCHEMBL371652;4-(p-Hydroxyphenyl)benzoic acid;4'-Hydroxy-4-phenylbenzoic acid;AMY1111;DTXSID60306717;4-(4'-hydroxyphenyl) benzoic acid;4-(4-hydroxy-phenyl)-benzoic acid;BCP19456;4'-Hydroxybiphenyl4-carboxylic acid;4-(4-CARBOXYPHENYL)-PHENOL;BBL104233;BDBM50060981;STL282774;4'-hydroxy 4-biphenylcarboxylic acid;4'-hydroxyl-4-biphenylcarboxylic acid;4-hydroxy-biphenyl-4'-carboxylic acid;4-hydroxylbiphenyl-4'-carboxylic acid;AKOS000120984;NSC-179419;SB66858;4''-Hydroxy-biphenyl-4-carboxylic acid;4-Biphenylcarboxylic acid, 4'-hydroxy-;AC-26583;BP-12681;DS-14558;SY036808;4'-Hydroxy-4-biphenylcarboxylic acid, 99%;BB 0223343;CS-0012227;FT-0618652;H0695;4'-hydroxy-1,1'-biphenyl-4-carboxylic acid;4'-hydroxy[1,1']biphenyl-4-carboxylic acid;EN300-17216;W-203197;Q63409165;Z56899120;InChI=1/C13H10O3/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8,14H,(H,15,16

Chemical Property of 4'-Hydroxy-4-biphenylcarboxylic acid

Chemical Property:

• Appearance/Colour: Powder
• Melting Point: 295 °C (dec.)(lit.)
• Refractive Index: 1.5090 (estimate)
• Boiling Point: 420.4 °C at 760 mmHg
• PKA: 4.29±0.10(Predicted)
• Flash Point: 222.2 °C
• PSA: 57.53000
• Density: 1.292 g/cm³
• LogP: 2.75740
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: almost transparency in hot Methanol
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 214.062994177
• Heavy Atom Count: 16
• Complexity: 236

Purity/Quality:

99% ^*data from raw suppliers

4-(4-Hydroxyphenyl)benzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-37/38-36
• Safety Statements: 26-37/39-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)O)C(=O)O
• Uses: 4-(4-Hydroxyphenyl)benzoic acid Dyes and metabolites. Intermediates of Liquid Crystals

Technology Process of 4'-Hydroxy-4-biphenylcarboxylic acid

There total 8 articles about 4'-Hydroxy-4-biphenylcarboxylic 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:

methyl 4-hydroxylbenzoate (99-76-3,156291-94-0) + isopropenylbenzene (98-83-9,6144-04-3,25014-31-7,42612-14-6) + phenol (108-95-2,27073-41-2) → Isopropylbenzene (98-82-8) + 4'-Hydroxybiphenyl-4-carboxylic acid (58574-03-1)

Guidance literature:

With hydrogenchloride; propan-1-ol; sodium hydroxide; hydrogen; palladium-carbon catalyst; In water; benzene;

Reference yield:

→ Isopropylbenzene (98-82-8) + 4'-Hydroxybiphenyl-4-carboxylic acid (58574-03-1)

Guidance literature:

Reference yield:

formic acid (64-18-6) + biphenyl (92-52-4,1594-86-1) → 4,4'-Dihydroxybiphenyl (92-88-6) + 4'-Hydroxybiphenyl-4-carboxylic acid (58574-03-1) + 4'-hydroxy-1,1'-biphenyl-3-carboxylic acid (121629-21-8)

Guidance literature:

With dipotassium peroxodisulfate; trifluoroacetic acid; palladium(II) trifluoroacetate; In dichloromethane; at 50 ℃; for 48h;

DOI:10.1021/ol049166l

upstream raw materials:

formic acid

biphenyl

4-bromo-4'-hydroxybiphenyl

4,4-bis(4-hydroxyphenyl)cyclohexanecarboxylic acid ester

Downstream raw materials:

4-<4'-(butyloxy)phenyl>benzoic acid

4'-propyloxy-4-biphenylcarboxylic acid

ethyl 4-hydroxy-4-biphenyl carboxylate

4-(heptyloxy)-4'-biphenylcarboxylic acid

Refernces

• 1、 Shibahara, Fumitoshi,Kinoshita, Shinsuke,Nozaki, Kyoko. "Palladium(II)-catalyzed sequential hydroxylation-carboxylation of biphenyl using formic acid as a carbonyl source". . p. 2437 - 2439. Retrieved 2007/10/03.
• 2、 -. "Process for the preparation of 4'-hydroxybiphenyl-4-carboxylic acid". . . Retrieved 2008/06/13.