8-Methoxy-12a-methyl-3,4,4a,4b,5,6,10b,11,12,12a-decahydrochrysen-2(1h)-one

Base Information

• Chemical Name: 8-Methoxy-12a-methyl-3,4,4a,4b,5,6,10b,11,12,12a-decahydrochrysen-2(1h)-one
• CAS No.: 1232-88-8
• Molecular Formula: C₂₀H₂₆O₂
• Molecular Weight: 298.425
• DSSTox Substance ID: DTXSID30924402
• Mol file: 1232-88-8.mol

Synonyms:D-homoestrone methyl ether

Chemical Property of 8-Methoxy-12a-methyl-3,4,4a,4b,5,6,10b,11,12,12a-decahydrochrysen-2(1h)-one

Chemical Property:

• Vapor Pressure: 5.43E-08mmHg at 25°C
• Boiling Point: 441.5°C at 760 mmHg
• Flash Point: 186.5°C
• Density: 1.083g/cm³
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 298.193280068
• Heavy Atom Count: 22
• Complexity: 445

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC(=O)C2)CCC4=C3C=CC(=C4)OC

Technology Process of 8-Methoxy-12a-methyl-3,4,4a,4b,5,6,10b,11,12,12a-decahydrochrysen-2(1h)-one

There total 31 articles about 8-Methoxy-12a-methyl-3,4,4a,4b,5,6,10b,11,12,12a-decahydrochrysen-2(1h)-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: 51.0%

3-methoxy-D-homoestra-1,3,5(10),8-tetraen-17a-one (2000-72-8,2384-20-5,6570-44-1,13204-08-5) → (+/-)-D-Homo-oestron-methylether (1039-39-0,1232-88-8,1232-89-9,10003-11-9,30045-65-9,40006-10-8,40006-12-0,50895-43-7,65137-56-6,81176-83-2)

Guidance literature:

With ammonia; lithium; aniline;

Reference yield:

DL-3-methoxy-D-homoestra-1,3,5(10),8,14-pentaen-17a-one (1456-49-1) → (4aR,4bR,10bR)-8-Methoxy-12a-methyl-3,4,4a,4b,5,6,10b,11,12,12a-decahydro-2H-chrysen-1-one (1039-39-0,1232-88-8,1232-89-9,10003-11-9,30045-65-9,40006-10-8,40006-12-0,50895-43-7,65137-56-6,81176-83-2) + D-homo-9-isoestrone methyl ether (1039-39-0,1232-88-8,1232-89-9,10003-11-9,30045-65-9,40006-10-8,40006-12-0,50895-43-7,65137-56-6,81176-83-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In tetrahydrofuran; ethanol; at 45 - 50 ℃;

Reference yield:

DL-3-methoxy-D-homoestra-1,3,5(10),8,14-pentaen-17a-one (1456-49-1) → (4aR,4bR,10bR)-8-Methoxy-12a-methyl-3,4,4a,4b,5,6,10b,11,12,12a-decahydro-2H-chrysen-1-one (1039-39-0,1232-88-8,1232-89-9,10003-11-9,30045-65-9,40006-10-8,40006-12-0,50895-43-7,65137-56-6,81176-83-2) + D-homo-9-isoestrone methyl ether (1039-39-0,1232-88-8,1232-89-9,10003-11-9,30045-65-9,40006-10-8,40006-12-0,50895-43-7,65137-56-6,81176-83-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In tetrahydrofuran; ethanol; at 45 - 50 ℃;

upstream raw materials:

3-Methoxy-D-homo-8α-oestra-1,3,5(10)-trien-17aβ-ol

(4aS,5S)-4,4a,5,6,7,8-hexahydro-5-hydroxy-4a-methylnaphthalen-2(3H)-one

17aβ-(t-Butoxy)-3-methoxy-D-homo-9,10-secooestra-1,3,5(10),8(14)-tetraen-6,9-dion

1β-tert-butoxy-8aβ-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-6-one

Downstream raw materials:

D-Homo-8-isoestrone

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