1,2,3,4,5,6-Hexahydrochrysene

Base Information

• Chemical Name: 1,2,3,4,5,6-Hexahydrochrysene
• CAS No.: 2091-91-0
• Molecular Formula: C18H18
• Molecular Weight: 234.341
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID50497643
• Nikkaji Number: J586.192F
• Wikidata: Q82347326
• Mol file: 2091-91-0.mol

Synonyms:1,2,3,4,5,6-Hexahydrochrysene;2091-91-0;DTXSID50497643

Chemical Property of 1,2,3,4,5,6-Hexahydrochrysene

Chemical Property:

• Melting Point: 110.0-110.5 °C
• Boiling Point: 386.9±27.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.100±0.06 g/cm3(Predicted)
• LogP: 4.33100
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 234.140850574
• Heavy Atom Count: 18
• Complexity: 294

Purity/Quality:

99%min ^*data from raw suppliers

1,2,3,4,5,6-HEXAHYDROCHRYSENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(C1)C=CC3=C2CCC4=CC=CC=C43

Technology Process of 1,2,3,4,5,6-Hexahydrochrysene

There total 10 articles about 1,2,3,4,5,6-Hexahydrochrysene 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%

2-(1-hydroxycyclohexyl)-1-vinyl-3,4-dihydronaphthalene (118904-30-6) → 1,2,3,4,5,6-Hexahydrochrysene (2091-91-0)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 1h; Heating;

Reference yield:

chrysene (218-01-9) → 1,2,3,4,5,6-Hexahydrochrysene (2091-91-0) + 1,2,3,4-tetrahydrochryzene (2091-90-9) + 1,2,3,4,4a,7,8,9,10,11,12,12a-Dodecahydrochrysene (1610-22-6,116801-96-8) + 1,2,3,4,4a,7,8,9,10,11,12,12a-Dodecahydrochrysene (1610-22-6,116801-96-8)

Guidance literature:

With hydrogen; tetra-n-propyl-diborane; at 200 ℃; for 4h; under 67505.4 Torr; Title compound not separated from byproducts;

Reference yield:

1,2,3,4-tetrahydrochryzene (2091-90-9) → 1,2,3,4,5,6-Hexahydrochrysene (2091-91-0)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; under 1551.4 Torr;

DOI:10.1021/jo00039a049

upstream raw materials:

chrysene

1,2,3,4-tetrahydrochryzene

2-(1-hydroxycyclohexyl)-1-vinyl-3,4-dihydronaphthalene

cyclohexanone

Downstream raw materials:

chrysene

1,2,3,4-tetrahydrochryzene

3,4,5,6-tetrahydrochrysen-1(2H)-one

2-nitro-7,8,9,10,11,12-hexahydrochrysene

Refernces

• 1、 Yalpani, Mohamed,Koester, Roland. "Reduction of Polycyclic Arenes by BH Boranes, III. Partial Hydrogenation: From Anthracene to Coronene". . p. 719 - 724. Retrieved 2007/10/02.