11alpha-Hydroxyprogesterone

Base Information

• Chemical Name: 11alpha-Hydroxyprogesterone
• CAS No.: 80-75-1
• Molecular Formula: C21H30O3
• Molecular Weight: 330.467
• Hs Code.: 29144090
• European Community (EC) Number: 201-306-9
• UNII: D8X4JXL4VM
• DSSTox Substance ID: DTXSID10861644
• Nikkaji Number: J121.148J
• Wikipedia: 11%CE%B1-Hydroxyprogesterone
• Wikidata: Q27098366
• Pharos Ligand ID: UTY6K19X1UWH
• Metabolomics Workbench ID: 35463
• ChEMBL ID: CHEMBL1563246
• Mol file: 80-75-1.mol

Synonyms:11 alpha-hydroxyprogesterone;11 beta-hydroxy-4-pregnen-3,20-dione;11-hydroxyprogesterone;11-hydroxyprogesterone, (11alpha)-(+-)-isomer;11-hydroxyprogesterone, (11alpha)-isomer;11-hydroxyprogesterone, (11alpha,17alpha)-(+-)-isomer;11-hydroxyprogesterone, (11beta)-isomer;11-hydroxyprogesterone, (9beta,10alpha,11alpha)-isomer;11beta-hydroxyprogesterone;11OHP compound;Duralutin;Gesterol;Hy-Gestrone;Hylutin;Hyprogest;Pergestron;pregn-4-ene-11 beta-ol-3,20-dione;Pro-Depo;Prodrox

Chemical Property of 11alpha-Hydroxyprogesterone

Chemical Property:

• Appearance/Colour: white to light beige crystalline powder
• Vapor Pressure: 1.51E-11mmHg at 25°C
• Melting Point: 165-166 °C
• Refractive Index: 1.557
• Boiling Point: 487.4 °C at 760 mmHg
• PKA: 14.52±0.70(Predicted)
• Flash Point: 262.7 °C
• PSA: 54.37000
• Density: 1.15 g/cm³
• LogP: 3.69430
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: 116.4mg/L(37 oC)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 330.21949481
• Heavy Atom Count: 24
• Complexity: 621

Purity/Quality:

98%min ^*data from raw suppliers

11a-Hydroxy progesterone ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C
• Isomeric SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C
• Uses: Progesterone (P755900) metabolite.

Technology Process of 11alpha-Hydroxyprogesterone

There total 51 articles about 11alpha-Hydroxyprogesterone 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: 93.1%

Progesterone (57-83-0) → 11-alpha-hydroxyprogesterone (80-75-1,22847-91-2)

Guidance literature:

With Aspergillus ochraceus NRRL₄₀₅; Kinaway's medium; β‐cyclodextrin; potassium dihydrogenphosphate; for 48h; Further Variations:; Reagents; pH-values; Product distribution;

Reference yield: 91.5%

11α-hydroxypregna-4,6-diene-3,20-dione (21063-87-6) → 11-alpha-hydroxyprogesterone (80-75-1,22847-91-2)

Guidance literature:

With formic acid; In isopropyl alcohol; at 76 - 80 ℃; for 6.5h; Inert atmosphere;

Reference yield: 78.0%

Pregnenolone (145-13-1) → 11-alpha-hydroxyprogesterone (80-75-1,22847-91-2)

Guidance literature:

With Aspergillus wentii MRC 200316; In water; N,N-dimethyl-formamide; at 27 ℃; for 120h; pH=7.2; Culture medium; Microbiological reaction; Enzymatic reaction;

DOI:10.1135/cccc2010112

upstream raw materials:

11α-hydroxypregna-4,6-diene-3,20-dione

progesterone

11α-acetoxy-5α-pregnane-3,20-dione

3β,11α-dihydroxy-5-pregnen-20-one

Downstream raw materials:

11α-hydroxy-5β-pregnane-3,20-dione

11α-hydroxy-5β-pregnane-3,20-dione

11-Ketoprogesterone

11α,15α-dihydroxypregn-4-ene-3,20-dione