10,11-dihydro-9H-benzo[a]anthracen-8-one

Base Information

• Chemical Name: 10,11-dihydro-9H-benzo[a]anthracen-8-one
• CAS No.: 5472-20-8
• Molecular Formula: C18H14O
• Molecular Weight: 246.309
• NSC Number: 27923
• DSSTox Substance ID: DTXSID20282765
• Wikidata: Q82017123
• ChEMBL ID: CHEMBL1865158
• Mol file: 5472-20-8.mol

Synonyms:10,11-dihydro-9H-benzo[a]anthracen-8-one;5472-20-8;MLS002639191;Benz[a]anthracen-8(9H)-one, 10,11-dihydro-;NSC27923;CHEMBL1865158;DTXSID20282765;HMS3079F21;NSC-27923;AKOS030239998;SMR001548638

Chemical Property of 10,11-dihydro-9H-benzo[a]anthracen-8-one

Chemical Property:

• Vapor Pressure: 1E-08mmHg at 25°C
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 246.104465066
• Heavy Atom Count: 19
• Complexity: 361

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C=C3C=CC4=CC=CC=C4C3=C2)C(=O)C1

Technology Process of 10,11-dihydro-9H-benzo[a]anthracen-8-one

There total 9 articles about 10,11-dihydro-9H-benzo[a]anthracen-8-one 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: 70.0%

NSC-92828 (13728-56-8) → 8-Oxo-8,9,10,11-tetrahydrobenzanthracene (5472-20-8)

Guidance literature:

With PPA; at 80 ℃; for 3h;

DOI:10.1021/jo00158a012

Reference yield:

→ 8-Oxo-8,9,10,11-tetrahydrobenzanthracene (5472-20-8)

Guidance literature:

With sulfuric acid; at 100 ℃;

DOI:10.1039/jr9330001012

Reference yield:

3-phenanthrenebutanoyl chloride (87883-49-6) → 8-Oxo-8,9,10,11-tetrahydrobenzanthracene (5472-20-8)

Guidance literature:

With trifluorormethanesulfonic acid; Yield given. Multistep reaction; CH2Cl2, -78 deg C -> room temp., overnight;

DOI:10.1021/jo00175a055

upstream raw materials:

NSC-92828

3-phenanthrenebutanoyl chloride

sulfuric acid

tin(IV) chloride

Downstream raw materials:

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

5-Aethyl-1,2-benzanthracen

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

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