Propanoic acid, 3-[(1S)-1-[(1S,3aS,4E,7aS)-4-[(2Z)-[(3S,5R)-3,5-bis[[(1,1-diMethylethyl)diMethylsilyl]oxy]-2-Methylenecyclohexylidene]ethylidene]octahydro-7a-Methyl-1H-inden-1-yl]ethoxy]-, ethyl este

Base Information

• Chemical Name: Propanoic acid, 3-[(1S)-1-[(1S,3aS,4E,7aS)-4-[(2Z)-[(3S,5R)-3,5-bis[[(1,1-diMethylethyl)diMethylsilyl]oxy]-2-Methylenecyclohexylidene]ethylidene]octahydro-7a-Methyl-1H-inden-1-yl]ethoxy]-, ethyl este
• CAS No.: 413571-27-4
• Molecular Formula: C38H68O5Si2
• Molecular Weight: 661.11
• Mol file: 413571-27-4.mol

Synonyms:Propanoic acid, 3-[(1S)-1-[(1S,3aS,4E,7aS)-4-[(2Z)-[(3S,5R)-3,5-bis[[(1,1-diMethylethyl)diMethylsilyl]oxy]-2-Methylenecyclohexylidene]ethylidene]octahydro-7a-Methyl-1H-inden-1-yl]ethoxy]-, ethyl este

Chemical Property of Propanoic acid, 3-[(1S)-1-[(1S,3aS,4E,7aS)-4-[(2Z)-[(3S,5R)-3,5-bis[[(1,1-diMethylethyl)diMethylsilyl]oxy]-2-Methylenecyclohexylidene]ethylidene]octahydro-7a-Methyl-1H-inden-1-yl]ethoxy]-, ethyl este

Chemical Property:

• PSA: 53.99000
• LogP: 10.54470

Purity/Quality:

99% ^*data from raw suppliers

Propanoicacid,3-[(1S)-1-[(1S,3aS,4E,7aS)-4-[(2Z)-[(3S,5R)-3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]ethoxy]-,ethyleste ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Propanoic acid, 3-[(1S)-1-[(1S,3aS,4E,7aS)-4-[(2Z)-[(3S,5R)-3,5-bis[[(1,1-diMethylethyl)diMethylsilyl]oxy]-2-Methylenecyclohexylidene]ethylidene]octahydro-7a-Methyl-1H-inden-1-yl]ethoxy]-, ethyl este

There total 3 articles about Propanoic acid, 3-[(1S)-1-[(1S,3aS,4E,7aS)-4-[(2Z)-[(3S,5R)-3,5-bis[[(1,1-diMethylethyl)diMethylsilyl]oxy]-2-Methylenecyclohexylidene]ethylidene]octahydro-7a-Methyl-1H-inden-1-yl]ethoxy]-, ethyl este 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: 93.0%

[(2Z)-2-[(3S,5R)-3,5-bis(tert-butyldimethylsilanyloxy)-2-methylenecyclohexylidene]ethyl]diphenylphosphine oxide (81522-68-1) + 3-[(S)-1-((1S,3aR,7aR)-7a-Methyl-4-oxo-octahydro-inden-1-yl)-ethoxy]-propionic acid ethyl ester (413571-28-5) → 3-((S)-1-{(1S,3aS,7aS)-4-[2-[(3S,5R)-3,5-Bis-(tert-butyl-dimethyl-silanyloxy)-2-methylene-cyclohex-(Z)-ylidene]-eth-(E)-ylidene]-7a-methyl-octahydro-inden-1-yl}-ethoxy)-propionic acid ethyl ester (413571-27-4)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at -78 - -40 ℃;

DOI:10.1016/S0040-4039(01)02164-5

Reference yield:

3-{(S)-1-[(1S,3aR,4S,7aR)-4-(tert-Butyl-dimethyl-silanyloxy)-7a-methyl-octahydro-inden-1-yl]-ethoxy}-propionic acid ethyl ester (192573-35-6) → 3-((S)-1-{(1S,3aS,7aS)-4-[2-[(3S,5R)-3,5-Bis-(tert-butyl-dimethyl-silanyloxy)-2-methylene-cyclohex-(Z)-ylidene]-eth-(E)-ylidene]-7a-methyl-octahydro-inden-1-yl}-ethoxy)-propionic acid ethyl ester (413571-27-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 90 percent / HF / acetonitrile / 20 °C

2: 95 percent / PDC / CH₂Cl₂ / 20 °C

3: 93 percent / nBuLi / tetrahydrofuran; hexane / -78 - -40 °C

With dipyridinium dichromate; n-butyllithium; hydrogen fluoride; In tetrahydrofuran; hexane; dichloromethane; acetonitrile;

DOI:10.1016/S0040-4039(01)02164-5

Reference yield:

3-[(S)-1-((1S,3aR,4S,7aS)-4-Hydroxy-7a-methyl-octahydro-inden-1-yl)-ethoxy]-propionic acid ethyl ester (413571-29-6) → 3-((S)-1-{(1S,3aS,7aS)-4-[2-[(3S,5R)-3,5-Bis-(tert-butyl-dimethyl-silanyloxy)-2-methylene-cyclohex-(Z)-ylidene]-eth-(E)-ylidene]-7a-methyl-octahydro-inden-1-yl}-ethoxy)-propionic acid ethyl ester (413571-27-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / PDC / CH₂Cl₂ / 20 °C

2: 93 percent / nBuLi / tetrahydrofuran; hexane / -78 - -40 °C

With dipyridinium dichromate; n-butyllithium; In tetrahydrofuran; hexane; dichloromethane;

DOI:10.1016/S0040-4039(01)02164-5

upstream raw materials:

[(2Z)-2-[(3S,5R)-3,5-bis(tert-butyldimethylsilanyloxy)-2-methylenecyclohexylidene]ethyl]diphenylphosphine oxide

3-[(S)-1-((1S,3aR,7aR)-7a-Methyl-4-oxo-octahydro-inden-1-yl)-ethoxy]-propionic acid ethyl ester

3-{(S)-1-[(1S,3aR,4S,7aR)-4-(tert-Butyl-dimethyl-silanyloxy)-7a-methyl-octahydro-inden-1-yl]-ethoxy}-propionic acid ethyl ester

3-[(S)-1-((1S,3aR,4S,7aS)-4-Hydroxy-7a-methyl-octahydro-inden-1-yl)-ethoxy]-propionic acid ethyl ester

Downstream raw materials:

maxacalcitol

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