(S)-2-{(1R,3aS,7aR)-4-[2-[(3S,5R)-3,5-Dihydroxy-2-methylene-cyclohex-(Z)-ylidene]-eth-(E)-ylidene]-7a-methyl-octahydro-inden-1-yl}-propionic acid methyl ester

Base Information

• Chemical Name: (S)-2-{(1R,3aS,7aR)-4-[2-[(3S,5R)-3,5-Dihydroxy-2-methylene-cyclohex-(Z)-ylidene]-eth-(E)-ylidene]-7a-methyl-octahydro-inden-1-yl}-propionic acid methyl ester
• CAS No.: 114694-17-6
• Molecular Formula: C₂₃H₃₄O₄
• Molecular Weight: 374.521

Synonyms:(S)-2-{(1R,3aS,7aR)-4-[2-[(3S,5R)-3,5-Dihydroxy-2-methylene-cyclohex-(Z)-ylidene]-eth-(E)-ylidene]-7a-methyl-octahydro-inden-1-yl}-propionic acid methyl ester

Chemical Property of (S)-2-{(1R,3aS,7aR)-4-[2-[(3S,5R)-3,5-Dihydroxy-2-methylene-cyclohex-(Z)-ylidene]-eth-(E)-ylidene]-7a-methyl-octahydro-inden-1-yl}-propionic acid methyl ester

Chemical Property:

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (S)-2-{(1R,3aS,7aR)-4-[2-[(3S,5R)-3,5-Dihydroxy-2-methylene-cyclohex-(Z)-ylidene]-eth-(E)-ylidene]-7a-methyl-octahydro-inden-1-yl}-propionic acid methyl ester

There total 10 articles about (S)-2-{(1R,3aS,7aR)-4-[2-[(3S,5R)-3,5-Dihydroxy-2-methylene-cyclohex-(Z)-ylidene]-eth-(E)-ylidene]-7a-methyl-octahydro-inden-1-yl}-propionic acid methyl ester 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%

(5Z,7E)-(1S,3R,20S)-1-hydroxy-3-acetoxy-9,10-seco-5,7,10(19)-pregnatriene-20-carboxylic acid methyl ester (114694-16-5) → (S)-2-{(1R,3aS,7aR)-4-[2-[(3S,5R)-3,5-Dihydroxy-2-methylene-cyclohex-(Z)-ylidene]-eth-(E)-ylidene]-7a-methyl-octahydro-inden-1-yl}-propionic acid methyl ester (114694-17-6)

Guidance literature:

With potassium hydroxide; In diethyl ether; for 1.5h; Ambient temperature;

DOI:10.1021/jo00250a009

Reference yield:

3β-hydroxy-22,23-dinor-5,7-choladienic acid methyl ester (99518-39-5) → (S)-2-{(1R,3aS,7aR)-4-[2-[(3S,5R)-3,5-Dihydroxy-2-methylene-cyclohex-(Z)-ylidene]-eth-(E)-ylidene]-7a-methyl-octahydro-inden-1-yl}-propionic acid methyl ester (114694-17-6)

Guidance literature:

Multi-step reaction with 6 steps

1: 1.) benzene, ethyl ether, irradiation, 40 min, 2.) ethanol, reflux, 3 h

2: pyridine / 20 h / 4 °C

3: potassium bicarbonate / CH₂Cl₂ / 24 h / 55 °C

4: 12.5 mg / 3.0 M tert-butyl hydroperoxide in toluene, selenium dioxide, pyridine / CH₂Cl₂ / 0.5 h / Ambient temperature

5: 6 mg / 0.25 h / 55 °C

6: 96 percent / 0.1 N methanolic KOH / diethyl ether / 1.5 h / Ambient temperature

With pyridine; tert.-butylhydroperoxide; potassium hydroxide; selenium(IV) oxide; potassium hydrogencarbonate; In diethyl ether; dichloromethane;

DOI:10.1021/jo00250a009

Reference yield:

(3β,20S)-3-<(tert-butyldimethylsilyl)oxy>pregn-5-ene-20-carboxylic acidmethyl ester (69454-87-1) → (S)-2-{(1R,3aS,7aR)-4-[2-[(3S,5R)-3,5-Dihydroxy-2-methylene-cyclohex-(Z)-ylidene]-eth-(E)-ylidene]-7a-methyl-octahydro-inden-1-yl}-propionic acid methyl ester (114694-17-6)

Guidance literature:

Multi-step reaction with 7 steps

2: 1.) benzene, ethyl ether, irradiation, 40 min, 2.) ethanol, reflux, 3 h

3: pyridine / 20 h / 4 °C

4: potassium bicarbonate / CH₂Cl₂ / 24 h / 55 °C

5: 12.5 mg / 3.0 M tert-butyl hydroperoxide in toluene, selenium dioxide, pyridine / CH₂Cl₂ / 0.5 h / Ambient temperature

6: 6 mg / 0.25 h / 55 °C

7: 96 percent / 0.1 N methanolic KOH / diethyl ether / 1.5 h / Ambient temperature

With pyridine; tert.-butylhydroperoxide; potassium hydroxide; selenium(IV) oxide; potassium hydrogencarbonate; In diethyl ether; dichloromethane;

DOI:10.1021/jo00250a009

upstream raw materials:

(5Z,7E)-(1S,3R,20S)-1-hydroxy-3-acetoxy-9,10-seco-5,7,10⁽¹⁹⁾-pregnatriene-20-carboxylic acid methyl ester

hydroxybisnorcholenic acid

methyl 3β-hydroxy-23-bisnorchol-5-en-22-oate

3β-hydroxy-22,23-dinor-5,7-choladienic acid methyl ester

Downstream raw materials:

(S)-2-{(1R,7aR)-4-[2-[(S)-5-Hydroxy-2-methylene-cyclohex-(Z)-ylidene]-eth-(E)-ylidene]-7a-methyl-octahydro-inden-1-yl}-propionaldehyde

2-((E)-(2R,5R)-5-{(1R,3aS,7aR)-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}-1,1,2-trimethyl-hex-3-enyloxy)-tetrahydro-furan

(E)-(3R,6R)-6-{(1R,3aS,7aR)-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}-2,3-dimethyl-hept-4-en-2-ol

(5Z,7E)-(1S,3R,20S)-1,3-bis<(tert-butyldimethylsilyl)oxy>-9,10-seco-22,23-dinor-5,7,10(19)-cholatrien-24-ol

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