4a,6a,9a-Trimethyl-7-(6-methylheptan-2-yl)-4,4a,4b,5,6,6a,7,8,9,9a,9b,10-dodecahydroindeno[5,4-f]chromen-2(3h)-one

Base Information

Chemical Name:4a,6a,9a-Trimethyl-7-(6-methylheptan-2-yl)-4,4a,4b,5,6,6a,7,8,9,9a,9b,10-dodecahydroindeno[5,4-f]chromen-2(3h)-one
CAS No.:21857-91-0
Molecular Formula:C₂₇H₄₄O₂
Molecular Weight:400.645
Hs Code.:
NSC Number:123309
DSSTox Substance ID:DTXSID90298454

Synonyms:21857-91-0;4a,6a,9a-trimethyl-7-(6-methylheptan-2-yl)-4,4a,4b,5,6,6a,7,8,9,9a,9b,10-dodecahydroindeno[5,4-f]chromen-2(3h)-one;NSC123309;DTXSID90298454;NSC-123309

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

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Chemical Property of 4a,6a,9a-Trimethyl-7-(6-methylheptan-2-yl)-4,4a,4b,5,6,6a,7,8,9,9a,9b,10-dodecahydroindeno[5,4-f]chromen-2(3h)-one

Chemical Property:

Vapor Pressure:7.71E-10mmHg at 25°C
XLogP3:8.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:400.334130642
Heavy Atom Count:29
Complexity:678

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)CCCC(C)C1CCC2(C1(CCC3C2CC=C4C3(CCC(=O)O4)C)C)C

Technology Process of 4a,6a,9a-Trimethyl-7-(6-methylheptan-2-yl)-4,4a,4b,5,6,6a,7,8,9,9a,9b,10-dodecahydroindeno[5,4-f]chromen-2(3h)-one

There total 2 articles about 4a,6a,9a-Trimethyl-7-(6-methylheptan-2-yl)-4,4a,4b,5,6,6a,7,8,9,9a,9b,10-dodecahydroindeno[5,4-f]chromen-2(3h)-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:

: 21857-91-0
(13R,14S)-17-(1,5-Dimethyl-hexyl)-10,13,14-trimethyl-1,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-2H-4-oxa-cyclopenta[a]phenanthren-3-one

Guidance literature:: 6, Acetanhydrid;
DOI:10.1021/jo00972a011

Reference yield:

: 21857-91-0
(10R,13R,14S,17R)-17-(1,5-Dimethyl-hexyl)-10,13,14-trimethyl-1,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-2H-4-oxa-cyclopenta[a]phenanthren-3-one

Guidance literature:: aus 6, Acetanhydrid;
DOI:10.1021/jo00972a011

Reference yield:

: 21857-91-0
(8R,9S,10R,13R,14S,17R)-17-((R)-1,5-Dimethyl-hexyl)-10,13,14-trimethyl-1,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-2H-4-oxa-cyclopenta[a]phenanthren-3-one

: 115090-73-8
14α-methylcholesterol

Guidance literature:: Multi-step reaction with 3 steps

1: diethyl ether; benzene / 0.5 h

2: 10percent NaOH / methanol / 2 h / Heating

3: 1.) isopropenyl acetate, p-toluenesulfonic acid; 2.) NaBH₄ / 1.) benzene, reflux, 5 h; 2.) tetrahydrofuran, methanol, reflux, 1 h

With sodium hydroxide; sodium tetrahydroborate; Isopropenyl acetate; toluene-4-sulfonic acid; In methanol; diethyl ether; benzene;
DOI:10.1248/cpb.35.3467