4,5-Phenanthrenediol

Base Information

• Chemical Name: 4,5-Phenanthrenediol
• CAS No.: 10127-55-6
• Molecular Formula: C₁₄H₁₀O₂
• Molecular Weight: 210.232
• NSC Number: 171268
• DSSTox Substance ID: DTXSID10305619
• Nikkaji Number: J2.302.453E
• Wikidata: Q82052317
• Mol file: 10127-55-6.mol

Synonyms:4,5-Phenanthrenediol;phenanthrene-4,5-diol;10127-55-6;NSC171268;4,5-dihydroxyphenanthrene;SCHEMBL7126508;DTXSID10305619;NSC-171268

Chemical Property of 4,5-Phenanthrenediol

Chemical Property:

• Vapor Pressure: 1.21E-09mmHg at 25°C
• Boiling Point: 475°Cat760mmHg
• Flash Point: 240.3°C
• Density: 1.36g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 210.068079557
• Heavy Atom Count: 16
• Complexity: 227

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)O)C3=C(C=CC=C3O)C=C2

Technology Process of 4,5-Phenanthrenediol

There total 3 articles about 4,5-Phenanthrenediol 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: 47.0%

4,5-dimethoxy-phenanthrene (10127-54-5) → 4,5-dihydroxyphenanthrene (10127-55-6)

Guidance literature:

With hydrogen bromide; acetic acid; at 120 ℃; for 2h;

DOI:10.1039/d0ra06519f

Reference yield:

4,5-dimethoxy-9,10-dihydrophenanthrene (10127-53-4) → 4,5-dihydroxyphenanthrene (10127-55-6)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfur / 225 °C

2: Py*HCl / 210 °C

With pyridine hydrochloride; sulfur;

DOI:10.1021/jo01277a015

Reference yield:

2,2'-bis(bromomethyl)-6,6'-dimethoxy-1,1'-biphenyl (15330-99-1,38197-29-4,38197-30-7) → 4,5-dihydroxyphenanthrene (10127-55-6)

Guidance literature:

Multi-step reaction with 3 steps

1: (i) PhLi, (ii) aq. H₂SO₄

2: sulfur / 225 °C

3: Py*HCl / 210 °C

With pyridine hydrochloride; sulfur;

DOI:10.1021/jo01277a015

upstream raw materials:

4,5-dimethoxy-phenanthrene

4,5-dimethoxy-9,10-dihydrophenanthrene

2,2'-bis(bromomethyl)-6,6'-dimethoxy-1,1'-biphenyl

Downstream raw materials:

5-Hydroxy-1,4-phenanthrenchinon

Refernces