6,7,8,9,10,12b-Hexahydro-3-methyl-cholanthrene

Base Information

• Chemical Name: 6,7,8,9,10,12b-Hexahydro-3-methyl-cholanthrene
• CAS No.: 35281-27-7
• Molecular Formula: C21H22
• Molecular Weight: 274.43
• DSSTox Substance ID: DTXSID50956720
• Nikkaji Number: J33.967I
• Mol file: 35281-27-7.mol

Synonyms:35281-27-7;BRN 2465473;6,7,8,9,10,12b-Hexahydro-3-methyl-cholanthrene;3-methyl-1,2,6,7,8,9,10,12b-octahydrocyclopenta[ij]tetraphene;Cholanthrene, 6,7,8,9,10,12b-hexahydro-3-methyl-;1,2,6,7,8,9,10,12b-Octahydro-3-methylbenz(j)aceanthrylene;Benz(j)aceanthrylene, 1,2,6,7,8,9,10,12b-octahydro-3-methyl-;DTXSID50956720;6,7,8,9,10,12b-hexahydro-3-methylcholanthrene

Chemical Property of 6,7,8,9,10,12b-Hexahydro-3-methyl-cholanthrene

Chemical Property:

• Vapor Pressure: 8.62E-07mmHg at 25°C
• Refractive Index: 1.7640 (estimate)
• Boiling Point: 417.4°C at 760 mmHg
• Flash Point: 228.9°C
• PSA: 0.00000
• Density: 1.128g/cm³
• LogP: 4.85610
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 274.172150702
• Heavy Atom Count: 21
• Complexity: 399

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2CCC3C2=C(CC4=C3C=CC5=C4CCCC5)C=C1

Technology Process of 6,7,8,9,10,12b-Hexahydro-3-methyl-cholanthrene

There total 5 articles about 6,7,8,9,10,12b-Hexahydro-3-methyl-cholanthrene 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:

methylcholanthrene (56-49-5) → 3-methyl-11,12-dihydrocholanthrene (25486-92-4) + 3-methyl-1,2,6,7,8,9,10,12b-octahydro-benz[j]aceanthrylene (35281-27-7)

Guidance literature:

With Pd-Pt; acetic acid; ethyl acetate; Hydrogenation;

DOI:10.1021/ja01271a054

Reference yield:

methylcholanthrene (56-49-5) + acetic acid (64-19-7,77671-22-8) + ethyl acetate (141-78-6) → 3-methyl-11,12-dihydrocholanthrene (25486-92-4) + 3-methyl-1,2,6,7,8,9,10,12b-octahydro-benz[j]aceanthrylene (35281-27-7)

Guidance literature:

Hydrogenation;

DOI:10.1021/ja01271a054

Reference yield:

methylcholanthrene (56-49-5) → 3-methyl-1,2,6,7,8,9,10,12b-octahydro-benz[j]aceanthrylene (35281-27-7)

Guidance literature:

With i-Amyl alcohol; sodium;

DOI:10.1021/ja01271a054

upstream raw materials:

methylcholanthrene

i-Amyl alcohol

acetic acid

ethyl acetate