17H-Cyclopenta(a)phenanthren-17-one, 15,16-dihydro-2-methyl-

Base Information

• Chemical Name: 17H-Cyclopenta(a)phenanthren-17-one, 15,16-dihydro-2-methyl-
• CAS No.: 27343-46-0
• Molecular Formula: C₁₈H₁₄O
• Molecular Weight: 246.309
• Hs Code.: 2914399090
• DSSTox Substance ID: DTXSID40181781
• Nikkaji Number: J1.271.394K
• Wikidata: Q83052393
• Mol file: 27343-46-0.mol

Synonyms:27343-46-0;17H-Cyclopenta(a)phenanthren-17-one, 15,16-dihydro-2-methyl-;15,16-Dihydro-2-methyl-17H-cyclopenta(a)phenanthren-17-one;BRN 2461372;15,16-Dihydro-2-methylcyclopenta(a)phenanthren-17-one;DTXSID40181781

Chemical Property of 17H-Cyclopenta(a)phenanthren-17-one, 15,16-dihydro-2-methyl-

Chemical Property:

• Vapor Pressure: 1.25E-08mmHg at 25°C
• Boiling Point: 459.6°Cat760mmHg
• Flash Point: 206°C
• PSA: 17.07000
• Density: 1.234g/cm³
• LogP: 4.43030
• 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: 374

Purity/Quality:

15,16-DIHYDRO-2-METHYL-17H-CYCLOPENTA(A)PHENANTHREN-17-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)C=CC3=C2C=CC4=C3CCC4=O

Technology Process of 17H-Cyclopenta(a)phenanthren-17-one, 15,16-dihydro-2-methyl-

There total 2 articles about 17H-Cyclopenta(a)phenanthren-17-one, 15,16-dihydro-2-methyl- 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:

2-Methyl-11,12,15,16-tetrahydro-cyclopenta[a]phenanthren-17-one (27343-51-7) → 2-Methyl-15,16-dihydro-cyclopenta[a]phenanthren-17-one (27343-46-0)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In benzene; Heating;

DOI:10.1039/j39700001266

Reference yield:

2-(6-Methyl-3,4-dihydro-phenanthren-1-yl)-succinic acid 1-ethyl ester (27343-54-0) → 2-Methyl-15,16-dihydro-cyclopenta[a]phenanthren-17-one (27343-46-0)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) ZnCl₂, Ac₂O, AcOH, (ii) aq. HCl, (iii) aq. KOH

2: DDQ / benzene / Heating

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In benzene;

DOI:10.1039/j39700001266

upstream raw materials:

2-Methyl-11,12,15,16-tetrahydro-cyclopenta[a]phenanthren-17-one

2-(6-Methyl-3,4-dihydro-phenanthren-1-yl)-succinic acid 1-ethyl ester

Refernces