17,19,21-Trihydroxypregn-4-ene-3,20-dione

Base Information

• Chemical Name: 17,19,21-Trihydroxypregn-4-ene-3,20-dione
• CAS No.: 510-65-6
• Molecular Formula: C21H30O5
• Molecular Weight: 362.466
• UNII: WR99YG9GNV
• DSSTox Substance ID: DTXSID20965283
• Nikkaji Number: J67.002B
• Wikidata: Q82947474
• Mol file: 510-65-6.mol

Synonyms:17,19,21-Trihydroxypregn-4-ene-3,20-dione;510-65-6;BRN 3172504;17,19,21-Trihydroxyprogesterone;WR99YG9GNV;Pregn-4-ene-3,20-dione, 17,19,21-trihydroxy-;4-Pregnene-17alpha,19,21-triol-3,20-dione;4-08-00-03434 (Beilstein Handbook Reference);UNII-WR99YG9GNV;(8R,9S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10-(hydroxymethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one;19-Hydroxy-11-deoxycortisol;DTXSID20965283;4-Pregnen-17,19,21-triol-3,20-dione;LS-118728

Chemical Property of 17,19,21-Trihydroxypregn-4-ene-3,20-dione

Chemical Property:

• Vapor Pressure: 1.12E-15mmHg at 25°C
• Boiling Point: 576.3°Cat760mmHg
• Flash Point: 316.3°C
• PSA: 94.83000
• Density: 1.29g/cm³
• LogP: 1.78320
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 362.20932405
• Heavy Atom Count: 26
• Complexity: 669

Purity/Quality:

98%min ^*data from raw suppliers

19-HYDROXY SUBSTANCE S 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)CCC34CO
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)CC[C@]34CO

Technology Process of 17,19,21-Trihydroxypregn-4-ene-3,20-dione

There total 4 articles about 17,19,21-Trihydroxypregn-4-ene-3,20-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:

Cortexolone (152-58-9) → HYDROCORTISONE (50-23-7) + 19-hydroxycortodoxone (510-65-6)

Guidance literature:

With water; iron(II) sulfate; In N,N-dimethyl-formamide; at 30 ℃; for 72h; Reagent/catalyst; Enzymatic reaction;

DOI:10.1038/s41467-019-11344-0

Reference yield:

17α,21-dihydroxy-4-pregnene-3,20-dione 17-acetate (19357-45-0) → HYDROCORTISONE (50-23-7) + 19-hydroxycortodoxone (510-65-6)

Guidance literature:

With water; iron(II) sulfate; In N,N-dimethyl-formamide; at 30 ℃; for 72h; Enzymatic reaction;

DOI:10.1038/s41467-019-11344-0

Reference yield:

cortexolone 21-acetate (640-87-9) → HYDROCORTISONE (50-23-7) + 19-hydroxycortodoxone (510-65-6)

Guidance literature:

With water; iron(II) sulfate; In N,N-dimethyl-formamide; at 30 ℃; for 72h; Enzymatic reaction;

DOI:10.1038/s41467-019-11344-0

upstream raw materials:

Cortexolone

17α,21-dihydroxy-4-pregnene-3,20-dione 17-acetate

cortexolone 21-acetate

Downstream raw materials:

19,21-dihydroxypregn-4-ene-3,20-dione

19-hydroxy-4-androstene-3,17-dione

Refernces