Methyl 3-[3a,6-dimethyl-3-(6-methylheptan-2-yl)-7-oxododecahydro-1h-cyclopenta[a]naphthalen-6-yl]propanoate

Base Information

Chemical Name:Methyl 3-[3a,6-dimethyl-3-(6-methylheptan-2-yl)-7-oxododecahydro-1h-cyclopenta[a]naphthalen-6-yl]propanoate
CAS No.:2063-90-3
Molecular Formula:C₂₇H₄₆O₃
Molecular Weight:418.66
Hs Code.:
NSC Number:69906
DSSTox Substance ID:DTXSID20290603

Synonyms:2063-90-3;methyl 3-[3a,6-dimethyl-3-(6-methylheptan-2-yl)-7-oxododecahydro-1h-cyclopenta[a]naphthalen-6-yl]propanoate;NSC69906;DTXSID20290603;NSC-69906

Suppliers and Price of Methyl 3-[3a,6-dimethyl-3-(6-methylheptan-2-yl)-7-oxododecahydro-1h-cyclopenta[a]naphthalen-6-yl]propanoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Methyl 3-[3a,6-dimethyl-3-(6-methylheptan-2-yl)-7-oxododecahydro-1h-cyclopenta[a]naphthalen-6-yl]propanoate

Chemical Property:

Vapor Pressure:1.21E-09mmHg at 25°C
XLogP3:7.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:9
Exact Mass:418.34469533
Heavy Atom Count:30
Complexity:626

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC(=O)C3(C)CCC(=O)OC)C

Technology Process of Methyl 3-[3a,6-dimethyl-3-(6-methylheptan-2-yl)-7-oxododecahydro-1h-cyclopenta[a]naphthalen-6-yl]propanoate

There total 6 articles about Methyl 3-[3a,6-dimethyl-3-(6-methylheptan-2-yl)-7-oxododecahydro-1h-cyclopenta[a]naphthalen-6-yl]propanoate 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: 94.0%

: 67-56-1
methanol

: 1508-94-7
3,5-seco-4-nor-cholestan-5-one-3-oic acid

: 2063-90-3
3,5-seco-4-nor-cholestane-5-one-3-methyl ester

Guidance literature:: With thionyl chloride; In dichloromethane; at 0 - 20 ℃;

Reference yield:

: 57-88-5
cholesterol

: 2063-90-3
3,5-seco-4-nor-cholestane-5-one-3-methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: aluminum isopropoxide; cyclohexanone / toluene; 1,4-dioxane / 3 h / Reflux

2: sodium periodate; potassium permanganate / tert-butyl alcohol; water / 3 h

3: sulfuric acid / 3 h / Reflux

With potassium permanganate; sodium periodate; sulfuric acid; cyclohexanone; aluminum isopropoxide; In 1,4-dioxane; water; toluene; tert-butyl alcohol; 1: |Oppenauer Oxidation;
DOI:10.2174/1570180813666160630110649

Reference yield:

: 601-57-0
Cholest-4-en-3-one

: 2063-90-3
3,5-seco-4-nor-cholestane-5-one-3-methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: sodium periodate; potassium permanganate / tert-butyl alcohol; water / 3 h

2: sulfuric acid / 3 h / Reflux

With potassium permanganate; sodium periodate; sulfuric acid; In water; tert-butyl alcohol;
DOI:10.2174/1570180813666160630110649