11a-Hydroxy-estr-4-ene-3,17-dione

Base Information

• Chemical Name: 11a-Hydroxy-estr-4-ene-3,17-dione
• CAS No.: 6615-00-5
• Molecular Formula: C18H24 O3
• Molecular Weight: 288.38
• European Community (EC) Number: 613-901-4
• DSSTox Substance ID: DTXSID70447807
• Nikkaji Number: J1.379.726I
• Wikidata: Q72483968
• Mol file: 6615-00-5.mol

Synonyms:6615-00-5;11a-Hydroxy-estr-4-ene-3,17-dione;11alpha-Hydroxy-estr-4-ene-3,17-dione;11alpha-Hydroxyestr-4-ene-3,17-dione;(8S,9S,10R,11R,13S,14S)-11-Hydroxy-13-methyl-7,8,9,10,11,12,13,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,6H)-dione;EC 613-901-4;(8S,9S,10R,11R,13S,14S)-11-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione;SolventBlue122;SCHEMBL907789;DTXSID70447807;VDCOSJPGDDQNJH-JVSYPLCOSA-N;11?-Hydroxyestr-4-ene-3,17-dione;11alpha-Hydroxyestra-4-ene-3,17-dione;11alpha-hydroxyoestr-4-ene-3,17-dione;11 alpha -Hydroxyestr-4-ene-3,17-dione

Chemical Property of 11a-Hydroxy-estr-4-ene-3,17-dione

Chemical Property:

• Vapor Pressure: 3.16E-11mmHg at 25°C
• Refractive Index: 1.574
• Boiling Point: 480°C at 760 mmHg
• Flash Point: 258.2°C
• PSA: 54.37000
• Density: 1.21
• LogP: 2.66810
• Water Solubility.: 792mg/L at 30℃
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 288.17254462
• Heavy Atom Count: 21
• Complexity: 535

Purity/Quality:

99.9% ^*data from raw suppliers

11α-Hydroxyestr-4-ene-3,17-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CC(C3C(C1CCC2=O)CCC4=CC(=O)CCC34)O
• Isomeric SMILES: C[C@]12C[C@H]([C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@H]34)O
• Uses: An intermediate for 18-demethyl Etonogestrel. Etonogestrel is the active metabolite of Desogestrel.

Technology Process of 11a-Hydroxy-estr-4-ene-3,17-dione

There total 1 articles about 11a-Hydroxy-estr-4-ene-3,17-dione 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:

→ 11α-Hydroxy-19-nor-androst-4-en-3,17-dion (6615-00-5,15313-96-9)

Guidance literature:

Estratrien, Li/NH3;

Reference yield: 85.0%

11α-hydroxy-estr-4-ene-3,17-dione (6615-00-5) → 19-norandrost-4-ene-3,11,17-trione (6615-01-6)

Guidance literature:

With tert.-butylhydroperoxide; 3 A molecular sieve; zircornium(IV) n-propoxide; In dichloromethane; for 80h;

DOI:10.1021/jo9518720

Downstream raw materials:

19-norandrost-4-ene-3,11,17-trione