3-Phenylphenol

Base Information

• Chemical Name: 3-Phenylphenol
• CAS No.: 580-51-8
• Molecular Formula: C12H10O
• Molecular Weight: 170.211
• Hs Code.: 29071990
• European Community (EC) Number: 629-441-2
• NSC Number: 17588
• UNII: ZU11X47H4O
• DSSTox Substance ID: DTXSID2022462
• Nikkaji Number: J1.630F
• Wikidata: Q27115998
• Metabolomics Workbench ID: 54966
• ChEMBL ID: CHEMBL122570
• Mol file: 580-51-8.mol

Synonyms:3-hydroxybiphenyl

Chemical Property of 3-Phenylphenol

Chemical Property:

• Appearance/Colour: white to yellow-beige crystalline powder
• Vapor Pressure: 6.84E-05mmHg at 25°C
• Melting Point: 75-80 °C (lit.)
• Refractive Index: 1.604
• Boiling Point: 333.9 °C at 760 mmHg
• PKA: 9.64(at 25℃)
• Flash Point: 162.1 °C
• PSA: 20.23000
• Density: 1.111 g/cm³
• LogP: 3.05920
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 170.073164938
• Heavy Atom Count: 13
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

3-Phenylphenol >97.0%(GC) ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=CC=C2)O
• Uses: 3 -Phenylphenol is a sensitive colorimetric reagent, used for the analysis of uronic acid.

Technology Process of 3-Phenylphenol

There total 15 articles about 3-Phenylphenol 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: 87.0%

bromobenzene (108-86-1,52753-63-6) + 3-hydroxyphenylboronic acid (87199-18-6) → [1,1'-biphenyl]-3-ol (580-51-8)

Guidance literature:

With potassium carbonate; In water; at 70 ℃; for 0.5h; Inert atmosphere;

DOI:10.1002/adsc.201600815

Reference yield: 75.0%

cis-(2R,3S)-2,3-dihydroxy-1-phenylcyclohexa-4,6-diene (34244-66-1,40301-77-7,66008-24-0) → [1,1'-biphenyl]-3-ol (580-51-8) + 2-Phenylphenol (90-43-7,287950-96-3)

Guidance literature:

With sodium hydroxide; In water; at 25 ℃; Concentration; Kinetics;

DOI:10.1021/ja304366j

Reference yield: 70.0%

2-hydroxydibenzothiophene 5,5-dioxide (22439-65-2) → [1,1'-biphenyl]-3-ol (580-51-8)

Guidance literature:

With sodium tetrahydroborate; nickel dichloride; In tetrahydrofuran; methanol; for 1h; Ambient temperature;

DOI:10.1021/jo00033a017

upstream raw materials:

2-chloro-1,1'-biphenyl

4'-biphenyl chloride

2-hydroxydibenzothiophene 5,5-dioxide

biphenyl

Downstream raw materials:

3-ethoxybiphenyl

benzoic acid biphenyl-3-yl ester

phosphoric acid tris-biphenyl-3-yl ester

biphenyl-3-yl-(2-chloro-ethyl)-ether

Refernces

• 1、 Cheng, Xu,Li, Weijian,Nie, Ruifang,Ma, Xiaojun,Sang, Rui,Guo, Li,Wu, Yong. "Ligand-Free C–C Coupling Reactions Promoted by Hexagonal Boron Nitride-Supported Palladium(II) Catalyst in Water". supporting information. p. 454 - 466. Retrieved 2017/02/10.
• 2、 Li, Weijian,Lv, Guanghui,Cheng, Xu,Sang, Rui,Ma, Xiaojun,Zhang, Yong,Nie, Ruifang,Li, Jie,Guan, Mei,Wu, Yong. "Palladium(II)-Schiff base complex immobilized covalently on h-BN: An efficient and recyclable catalyst for aqueous organic transformations". supporting information. p. 8557 - 8564. Retrieved 2016/12/07.