Androst-5-ene-3-beta,17-alpha-diol di(acetate)

Base Information

• Chemical Name: Androst-5-ene-3-beta,17-alpha-diol di(acetate)
• CAS No.: 53991-48-3
• Molecular Formula: C23H34 O4
• Molecular Weight: 374.521
• European Community (EC) Number: 258-906-9
• DSSTox Substance ID: DTXSID701251554
• Nikkaji Number: J279.553A
• Mol file: 53991-48-3.mol

Synonyms:53991-48-3;Androst-5-ene-3-beta,17-alpha-diol di(acetate);EINECS 258-906-9;DTXSID701251554;Androst-5-ene-3beta,17alpha-diol diacetate;Androst-5-ene-3,17-diol, diacetate, (3beta,17alpha)-;Androst-5-ene-3,17-diol, diacetate, (3.beta.,17.alpha.)-

Chemical Property of Androst-5-ene-3-beta,17-alpha-diol di(acetate)

Chemical Property:

• Melting Point: 166-167 °C(Solv: ethanol (64-17-5))
• Boiling Point: 448.9°Cat760mmHg
• Flash Point: 215.1°C
• PSA: 0.00000
• Density: 1.12g/cm³
• LogP: 0.00000
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 374.24570956
• Heavy Atom Count: 27
• Complexity: 667

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4OC(=O)C)C)C
• Isomeric SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@H]4OC(=O)C)C)C

Technology Process of Androst-5-ene-3-beta,17-alpha-diol di(acetate)

There total 11 articles about Androst-5-ene-3-beta,17-alpha-diol di(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: 97.0%

androst-5-ene-3β,17β-diol (521-17-5,1963-03-7,4593-57-1,4593-58-2,14504-94-0,16895-59-3,47122-33-8,64162-67-0,75767-22-5,139973-51-6,151284-19-4) + acetic acid (64-19-7,77671-22-8) → 3β,17β-androst-5-ene diol diacetate (2099-26-5,23930-64-5,53991-48-3,59433-27-1,59433-28-2,106137-18-2,114976-63-5,116262-99-8,133522-47-1,133575-90-3,138513-17-4)

Guidance literature:

With chloro-trimethyl-silane; at 20 ℃;

Reference yield:

androst-5-ene-3β,17β-diol (521-17-5,1963-03-7,4593-57-1,4593-58-2,14504-94-0,16895-59-3,47122-33-8,64162-67-0,75767-22-5,139973-51-6,151284-19-4) + acetic anhydride (108-24-7) → 3β,17β-androst-5-ene diol diacetate (2099-26-5,23930-64-5,53991-48-3,59433-27-1,59433-28-2,106137-18-2,114976-63-5,116262-99-8,133522-47-1,133575-90-3,138513-17-4)

Guidance literature:

With dmap; In pyridine; at 20 ℃; for 5.5h;

Reference yield:

→ 3β,17β-androst-5-ene diol diacetate (2099-26-5,23930-64-5,53991-48-3,59433-27-1,59433-28-2,106137-18-2,114976-63-5,116262-99-8,133522-47-1,133575-90-3,138513-17-4)

Guidance literature:

17β-Hydroxy-3,5-cyclo-androsten-(6), Eg., Acetanhydrid, Zusatz von Toluol-sulfonsaeure-(4) (1/2h; 100grad);

upstream raw materials:

androst-5-ene-3β,17β-diol

acetic acid

acetic anhydride

androst-5-ene-3β,17α-diol

Downstream raw materials:

androst-5-ene-3β,17α-diol

Refernces

• 1、 -. "ESTROGEN RECEPTOR MODULATORS". Page/Page column 26. . Retrieved 2008/06/13.
• 2、 -. "ESTROGEN RECEPTOR MODULATORS". Page/Page column 27. . Retrieved 2010/02/14.