1-[10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Base Information

Chemical Name:1-[10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CAS No.:35961-41-2
Molecular Formula:C26H40O3
Molecular Weight:400.594
Hs Code.:
NSC Number:69546
DSSTox Substance ID:DTXSID50957378
Mol file:35961-41-2.mol

Synonyms:35961-41-2;NSC69546;1-[10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;DTXSID50957378;Pregnenolone tetrahydropyranyl ether;NSC-69546;AKOS003242028;3-[(Oxan-2-yl)oxy]pregn-5-en-20-one

Suppliers and Price of 1-[10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Supply Marketing:

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

Manufacturers and distributors:

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Total 4 raw suppliers

Chemical Property of 1-[10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Chemical Property:

Vapor Pressure:1.78E-10mmHg at 25°C
Boiling Point:508.9°C at 760 mmHg
Flash Point:254°C
Density:1.09g/cm³
XLogP3:5.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:400.29774513
Heavy Atom Count:29
Complexity:683

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5CCCCO5)C)C

Technology Process of 1-[10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

There total 4 articles about 1-[10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone 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: 96.0%

: 110-87-2
3,4-dihydro-2H-pyran

: 145-13-1
Pregnenolone

: 35961-41-2
1-((3S,10R,13S,17S)-10,13-dimethyl-3-((tetrahydro-2H-pyran-2-yl)oxy)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone

Guidance literature:: With toluene-4-sulfonic acid; In dichloromethane; for 3h;
DOI:10.1016/S0040-4020(98)01187-9

Reference yield:

: 1778-02-5
Pregnenolone acetate

: 35961-41-2
1-((3S,10R,13S,17S)-10,13-dimethyl-3-((tetrahydro-2H-pyran-2-yl)oxy)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone

Guidance literature:: Multi-step reaction with 2 steps

1: methanol; potassium carbonate / 20 °C

2: toluene-4-sulfonic acid / dichloromethane / 12 h / 20 °C / Inert atmosphere

With methanol; potassium carbonate; toluene-4-sulfonic acid; In dichloromethane;

Reference yield:

: 979-02-2
16-dehydropregnenolone acetate

: 35961-41-2
1-((3S,10R,13S,17S)-10,13-dimethyl-3-((tetrahydro-2H-pyran-2-yl)oxy)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone

Guidance literature:: Multi-step reaction with 3 steps

1: palladium 10% on activated carbon; hydrogen / ethyl acetate / 20 °C

2: methanol; potassium carbonate / 20 °C

3: toluene-4-sulfonic acid / dichloromethane / 12 h / 20 °C / Inert atmosphere

With methanol; palladium 10% on activated carbon; hydrogen; potassium carbonate; toluene-4-sulfonic acid; In dichloromethane; ethyl acetate;