[1,1'-Biphenyl]-2,4-diol

Base Information

• Chemical Name: [1,1'-Biphenyl]-2,4-diol
• CAS No.: 134-52-1
• Molecular Formula: C12H10O2
• Molecular Weight: 186.21
• DSSTox Substance ID: DTXSID90452094
• Nikkaji Number: J801.960F
• Wikidata: Q82272476
• ChEMBL ID: CHEMBL501426
• Mol file: 134-52-1.mol

Synonyms:[1,1'-Biphenyl]-2,4-diol;134-52-1;4-phenylbenzene-1,3-diol;4-Phenyl resorcinol;4-Phenyl-1,3-Dihydroxybenzene;CHEMBL501426;MFCD00029715;4-phenylresorcinol;4-hydroxybiphenylol;biphenyl-2,4-diol;SCHEMBL69153;DTXSID90452094;LYXCJGJSIWFKHZ-UHFFFAOYSA-N;BDBM50446411;AKOS022642143;CCG-357978;DS-19613;LS-44342;SY209174;CS-0156486;C72368;EN300-253071;A1-00411;[1,1 inverted exclamation mark -Biphenyl]-2,4-diol;Z1513808527

Chemical Property of [1,1'-Biphenyl]-2,4-diol

Chemical Property:

• Melting Point: 145 °C
• Boiling Point: 378.9±12.0 °C(Predicted)
• PKA: 9.66±0.18(Predicted)
• PSA: 40.46000
• Density: 1.228±0.06 g/cm3(Predicted)
• LogP: 2.76480
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 186.068079557
• Heavy Atom Count: 14
• Complexity: 175

Purity/Quality:

98%min ^*data from raw suppliers

4-phenylbenzene-1,3-diol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): A poison by skin contact.
• Hazard Codes: A poison by skin contact.

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of [1,1'-Biphenyl]-2,4-diol

There total 5 articles about [1,1'-Biphenyl]-2,4-diol 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: 65.0%

2,4-dimethoxy-biphenyl (17715-56-9) → 4-phenyl-1,3-dihydroxybenzene (134-52-1)

Guidance literature:

2,4-dimethoxy-biphenyl; With boron tribromide; In dichloromethane; at 0 - 20 ℃; for 24h;

With water; In dichloromethane; Cooling with ice;

DOI:10.1016/j.bmc.2009.02.060

Reference yield: 61.0%

4-Bromoresorcinol (6626-15-9) + phenylboronic acid (98-80-6) → 4-phenyl-1,3-dihydroxybenzene (134-52-1)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In 1,2-dimethoxyethane; water; at 20 - 95 ℃; for 6h; Inert atmosphere; Sealed tube;

Reference yield:

→ 4-phenyl-1,3-dihydroxybenzene (134-52-1)

Guidance literature:

With sulfur; at 300 ℃; anschliessendes Kochen mit wss.-aethanol. NaOH;

DOI:10.1021/ja01870a053

upstream raw materials:

2,4-dimethoxy-biphenyl

1-cyclohexyl-2,4-dimethoxy-benzene

4-Bromoresorcinol

phenylboronic acid

Downstream raw materials:

6-hydroxy-5-phenylbenzofuran-3(2H)-one

(Z)-2-[(1H-indol-3-yl)methylene]-6-hydroxy-5-phenylbenzofuran-3(2H)-one

tert-butyl (Z)-4-({2-[(1H-indol-3-yl)methylene]-6-hydroxy-3-oxo-5-phenyl-2,3-dihydrobenzofuran-7-yl}methyl)piperazine-1-carboxylate

5-[4-(4-Methoxycarbonyl-4-methyl-pentyloxy)-biphenyl-2-yloxy]-2,2-dimethyl-pentanoic acid methyl ester

Refernces

• 1、 -. "ANTICANCER AGENT". Paragraph 0180. . Retrieved 2013/03/26.