11-beta-Methylestradiol

Base Information

• Chemical Name: 11-beta-Methylestradiol
• CAS No.: 23637-93-6
• Molecular Formula: C₁₉H₂₆O₂
• Molecular Weight: 286.414
• DSSTox Substance ID: DTXSID60946455

Synonyms:CCRIS 7202;11-beta-Methylestradiol;ESTRA-1,3,5(10)-TRIENE-3,17-beta-DIOL, 11-beta-METHYL-;DTXSID60946455;LS-64778;11-Methylestra-1(10),2,4-triene-3,17-diol

Chemical Property of 11-beta-Methylestradiol

Chemical Property:

• Vapor Pressure: 7.07E-09mmHg at 25°C
• Boiling Point: 449.8°C at 760 mmHg
• Flash Point: 208.4°C
• Density: 1.133g/cm³
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 286.193280068
• Heavy Atom Count: 21
• Complexity: 408

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2(C(CCC2O)C3C1C4=C(CC3)C=C(C=C4)O)C
• Isomeric SMILES: C[C@H]1CC2([C@H](CCC2C3C1C4=C(CC3)C=C(C=C4)O)O)C

Technology Process of 11-beta-Methylestradiol

There total 11 articles about 11-beta-Methylestradiol 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: 100.0%

C33H38O2 (1071830-88-0) → 11β,17β-11-methyl-estra-1,3,5(10)-triene-3,17-diol (23637-93-6)

Guidance literature:

C₃₃H₃₈O₂; With ammonia; sodium; In tetrahydrofuran; at -78 ℃; for 3h; Heating / reflux;

With water; ammonium chloride; In tetrahydrofuran;

Reference yield: 60.0%

C25H32O2Se → 11β-methyl-estra-1,3,5(10)-triene-3,17β-diol (23637-93-6,82079-23-0,82079-30-9,82079-31-0,83059-98-7)

Guidance literature:

With dihydrogen peroxide; In tetrahydrofuran; at 20 ℃; for 3h;

DOI:10.1016/j.steroids.2013.03.005

Reference yield:

11β-Methylestrone (13667-06-6) → 11β,17β-11-methyl-estra-1,3,5(10)-triene-3,17-diol (23637-93-6)

Guidance literature:

With sodium tetrahydroborate; In ethanol; for 0.5h; Ambient temperature;

DOI:10.1016/0039-128X(83)90054-5

upstream raw materials:

(11S,13S,17S)-17-Hydroxy-11,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one

11β-Methylestrone

(8S,9S,10R,11S,13S,14S,17S)-17-Hydroxy-10,11,13-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one

(8S,13S,14S)-3-Benzyloxy-11,13-dimethyl-6,7,8,12,13,14,15,16-octahydro-cyclopenta[a]phenanthren-17-one

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