4-Phenylpyrogallol

Base Information

• Chemical Name: 4-Phenylpyrogallol
• CAS No.: 3934-76-7
• Molecular Formula: C12H10 O3
• Molecular Weight: 202.21
• European Community (EC) Number: 223-510-7
• DSSTox Substance ID: DTXSID0063236
• Nikkaji Number: J217.771D
• Wikidata: Q81990593
• Mol file: 3934-76-7.mol

Synonyms:4-Phenylpyrogallol;3934-76-7;[1,1'-Biphenyl]-2,3,4-triol;2,3,4-Trihydroxybiphenyl;EINECS 223-510-7;(1,1'-Biphenyl)-2,3,4-triol;trihydroxybiphenyl;Pyrogallol, 4-phenyl-;SCHEMBL79394;DTXSID0063236;[1,1-Biphenyl]-2,3,4-triol

Chemical Property of 4-Phenylpyrogallol

Chemical Property:

• Vapor Pressure: 9.8E-07mmHg at 25°C
• Boiling Point: 392.9°Cat760mmHg
• Flash Point: 196.5°C
• PSA: 60.69000
• Density: 1.347g/cm³
• LogP: 2.47040
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 202.062994177
• Heavy Atom Count: 15
• Complexity: 201

Purity/Quality:

98%Min ^*data from raw suppliers

4-PHENYLPYROGALLOL 95.00% ^*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=C(C(=C(C=C2)O)O)O

Technology Process of 4-Phenylpyrogallol

There total 3 articles about 4-Phenylpyrogallol 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:

2,3,4-trimethoxybiphenyl (95127-11-0) → Biphenyl-2,3,4-triol (3934-76-7)

Guidance literature:

With aluminium trichloride; chlorobenzene;

DOI:10.1039/jr9550004435

Reference yield:

1-cyclohex-1-enyl-2,3,4-trimethoxy-benzene (6773-00-8) → Biphenyl-2,3,4-triol (3934-76-7)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrachloro-<1,4>benzoquinone; xylene / 310 °C

2: AlCl₃; chlorobenzene

With aluminium trichloride; chloranil; chlorobenzene; xylene;

DOI:10.1039/jr9550004435

Reference yield:

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → Biphenyl-2,3,4-triol (3934-76-7)

Guidance literature:

Multi-step reaction with 3 steps

2: tetrachloro-<1,4>benzoquinone; xylene / 310 °C

3: AlCl₃; chlorobenzene

With aluminium trichloride; chloranil; chlorobenzene; xylene;

DOI:10.1039/jr9550004435

upstream raw materials:

2,3,4-trimethoxybiphenyl

1-cyclohex-1-enyl-2,3,4-trimethoxy-benzene

cyclohexanone

Downstream raw materials:

3,4,6-trihydroxy-2-methoxy-7-phenyl-benzocyclohepten-5-one