3a,5b-Dimethyl-3-(6-methylheptan-2-yl)-1,2,3,3a,4,5,5a,5b,6,7,8,9,10a,10b-tetradecahydrocyclopenta[a]fluoren-8-yl acetate

Base Information

• Chemical Name: 3a,5b-Dimethyl-3-(6-methylheptan-2-yl)-1,2,3,3a,4,5,5a,5b,6,7,8,9,10a,10b-tetradecahydrocyclopenta[a]fluoren-8-yl acetate
• CAS No.: 14291-09-9
• Molecular Formula: C₂₈H₄₆O₂
• Molecular Weight: 414.672
• NSC Number: 134941
• DSSTox Substance ID: DTXSID40300112

Synonyms:14291-09-9;3a,5b-dimethyl-3-(6-methylheptan-2-yl)-1,2,3,3a,4,5,5a,5b,6,7,8,9,10a,10b-tetradecahydrocyclopenta[a]fluoren-8-yl acetate;NSC134941;DTXSID40300112;NSC-134941

Chemical Property of 3a,5b-Dimethyl-3-(6-methylheptan-2-yl)-1,2,3,3a,4,5,5a,5b,6,7,8,9,10a,10b-tetradecahydrocyclopenta[a]fluoren-8-yl acetate

Chemical Property:

• Vapor Pressure: 2.37E-09mmHg at 25°C
• Melting Point: 79 °C
• Boiling Point: 479.4±24.0 °C(Predicted)
• Density: 1.00±0.1 g/cm3(Predicted)
• XLogP3: 8.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 414.349780706
• Heavy Atom Count: 30
• Complexity: 678

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2C=C4C3(CCC(C4)OC(=O)C)C)C

Technology Process of 3a,5b-Dimethyl-3-(6-methylheptan-2-yl)-1,2,3,3a,4,5,5a,5b,6,7,8,9,10a,10b-tetradecahydrocyclopenta[a]fluoren-8-yl acetate

There total 11 articles about 3a,5b-Dimethyl-3-(6-methylheptan-2-yl)-1,2,3,3a,4,5,5a,5b,6,7,8,9,10a,10b-tetradecahydrocyclopenta[a]fluoren-8-yl acetate 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:

3β-acetoxy-5-oxo-5,6-seco-cholestan-6-oic acid (10473-42-4) → 3β-acetoxy-B-norcholest-5-ene (14291-09-9) + Acetic acid (3R,3aR,5aS,5bR,8S,12aR,12bS,12cS)-3-((R)-1,5-dimethyl-hexyl)-3a,5b-dimethyl-12-oxo-hexadecahydro-10-oxa-dicyclopenta[a,k]fluoren-8-yl ester (28936-18-7,106759-15-3,106819-65-2)

Guidance literature:

With tetraphosphorus decasulfide; In pyridine;

DOI:10.1135/cccc19831489

Reference yield:

3β-acetoxy-5-hydroxy-B-nor-5β-cholestane-6β-carboxylic acid-lactone (28936-18-7) → 3β-acetoxy-B-norcholest-5-ene (14291-09-9)

Guidance literature:

at 200 ℃;

DOI:10.1021/ja01599a055

Reference yield:

3-acetoxy-5-hydroxy-B-nor-cholestane-6-carboxylic acid (71557-28-3,103730-27-4,103730-28-5) → 3β-acetoxy-B-norcholest-5-ene (14291-09-9)

Guidance literature:

With acetic anhydride;

upstream raw materials:

3α-Acetoxy-5α-B-norcholestan-6-on

3β-acetoxy-5-hydroxy-B-nor-5β-cholestane-6β-carboxylic acid-lactone

3β-Acetoxy-5,6-seco-5,7-cyclo-cholestan-5-ol-6-saeure-(5->6)-lacton

3β-acetoxy-5-oxo-5,6-seco-cholestan-6-oic acid

Downstream raw materials:

3β-(toluene-4-sulfonyloxy)-B-nor-5α-cholestane

B-Nor-cholesten-(4)-on-(3)

B-nor cholesterol benzoate

3α-(toluene-4-sulfonyloxy)-B-nor-5β-cholestane

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