Benz(a)anthracene, 10,11-dihydro-

Base Information

• Chemical Name: Benz(a)anthracene, 10,11-dihydro-
• CAS No.: 34501-50-3
• Molecular Formula: C₁₈H₁₄
• Molecular Weight: 230.309
• DSSTox Substance ID: DTXSID10188065
• Mol file: 34501-50-3.mol

Synonyms:34501-50-3;Benz(a)anthracene, 10,11-dihydro-;10,11-Dihydrobenz(a)anthracene;10,11-dihydrobenz[a]anthracene;10,11-dihydrobenzo[a]anthracene;DTXSID10188065;AKOS030255061

Chemical Property of Benz(a)anthracene, 10,11-dihydro-

Chemical Property:

• PSA: 0.00000
• LogP: 4.95240
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 230.109550447
• Heavy Atom Count: 18
• Complexity: 329

Purity/Quality:

10,11-Dihydrobenz[a]anthracene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC2=C(C=C1)C=C3C=CC4=CC=CC=C4C3=C2
• Uses: 10,11-Dihydrobenz[a]anthracene is an intermediate in the synthesis of phenols of Benz[a]anthracene (B183560).

Technology Process of Benz(a)anthracene, 10,11-dihydro-

There total 6 articles about Benz(a)anthracene, 10,11-dihydro- 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:

(+/-)-8-hydroxy-8.9.10.11-tetrahydro-benz[a]anthracene (91484-81-0) → 10,11-dihydro-benz[a]anthracene (34501-50-3)

Guidance literature:

at 200 ℃;

DOI:10.1021/jo01222a006

Reference yield:

→ 10,11-dihydro-benz[a]anthracene (34501-50-3)

Guidance literature:

With pyridine;

DOI:10.1021/jo01222a006

Reference yield:

8-Oxo-8,9,10,11-tetrahydrobenzanthracene (5472-20-8) → 10,11-dihydro-benz[a]anthracene (34501-50-3)

Guidance literature:

Multi-step reaction with 2 steps

1: aluminium isopropylate; isopropyl alcohol

2: 200 °C

With aluminum isopropoxide; isopropyl alcohol;

DOI:10.1021/jo01222a006

upstream raw materials:

pyridine

8-chloro-8,9,10,11-tetrahydro-benz[a]anthracene

(+/-)-8-hydroxy-8.9.10.11-tetrahydro-benz[a]anthracene

8-Oxo-8,9,10,11-tetrahydrobenzanthracene

Downstream raw materials:

trans-8,9-dihydroxy-8,9-dihydrobenzanthracene

(-)-cis-(8R,9S)-8,9-Dihydroxy-8,9,10,11-tetrahydrobenzanthracene

(+)-cis-(8S,9R)-8,9-Dihydroxy-8,9,10,11-tetrahydrobenzanthracene

3,3,3-Trifluoro-2-methoxy-2-phenyl-propionic acid (8R,9S)-9-(3,3,3-trifluoro-2-methoxy-2-phenyl-propionyloxy)-8,9,10,11-tetrahydro-benzo[a]anthracen-8-yl ester