3-Oxopregn-4-ene-21,17alpha-carbolactone

Base Information

Chemical Name:3-Oxopregn-4-ene-21,17alpha-carbolactone
CAS No.:976-70-5
Molecular Formula:C22H30O3
Molecular Weight:342.478
Hs Code.:2932206000
European Community (EC) Number:213-552-4
UNII:3N8TCN29OP
DSSTox Substance ID:DTXSID10875403
Nikkaji Number:J15.025H
Wikipedia:SC-5233
Metabolomics Workbench ID:144718
ChEMBL ID:CHEMBL400534
Mol file:976-70-5.mol

Synonyms:976-70-5;3-Oxopregn-4-ene-21,17alpha-carbolactone;6,7-Dihydrocanrenone;20-Spirox-4-ene-3,20-dione;EINECS 213-552-4;SC 5233;SC-5233;BRN 0043765;3N8TCN29OP;(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H,4'H)-dione;(8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione;17-alpha-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone;3-(3-Oxo-17-beta-hydroxy-4-androsten-17-alpha-yl)propionic acid gamma-lactone;EC 213-552-4;omega-(3-Oxo-17-beta-hydroxy-4-androsten-17-alpha-yl) propionic acid lactone;4-17-00-06330 (Beilstein Handbook Reference);(2R)-3,4-Dihydro-5H-spiro(androst-4-ene-17,2-furan)-3,5-dione;Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, g-lactone, (17a)-;17.alpha.-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, .gamma.-lactone;Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, .gamma.-lactone, (17.alpha.)-;spriolactone;Spironolactone EP impurity C;(2'R,8R,9S,10R,13S,14S)-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H,4'H)-dione;UNII-3N8TCN29OP;MLS001164723;CHEMBL400534;SCHEMBL18218188;DTXSID10875403;HMS2878M21;BBL033693;STK801875;AKOS005622474;CS-O-10705;3-oxopregn-4-ene-21,17a-carbolactone;NCGC00246184-01;NCGC00246184-03;SMR000539898;VS-12223;LS-118615;SPIRONOLACTONE IMPURITY C [EP IMPURITY];AB00829008-05;3-(3-OXO-17.BETA.-HYDROXYANDROST-4-EN-17.ALPHA.-YL)PROPIOLACTONE;(2'R)-3',4'-DIHYDRO-5'H-SPIRO(ANDROST-4-ENE-17,2'-FURAN)-3,5'-DIONE;17.BETA.-HYDROXY-3-OXOPREGN-4-EN-21-CARBOXYLIC ACID .GAMMA.-LACTONE;3'-(3-OXO-17.BETA.-HYDROXYANDROST-4-EN-17.ALPHA.-YL)-PROPIONIC ACID LACTONE;3-(3-OXO-17.BETA.-HYDROXY-4-ANDROSTEN-17-YL)PROPIONIC ACID .GAMMA.-LACTONE;(1R,3aS,3bR,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolane]-5',7-dione

Suppliers and Price of 3-Oxopregn-4-ene-21,17alpha-carbolactone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
6,7-Dihydrocanrenone
10mg
$ 180.00

Medical Isotopes, Inc.
6,7-Dihydrocanrenone
5 mg
$ 1440.00

American Custom Chemicals Corporation
SPIRONOLACTONE INTERMEDIATE 95.00%
5MG
$ 500.53

Total 34 raw suppliers

Chemical Property of 3-Oxopregn-4-ene-21,17alpha-carbolactone

Chemical Property:

Melting Point:156-159 °C
Boiling Point:522.8±50.0 °C(Predicted)
Flash Point:228.9oC
PSA：43.37000
Density:1.17±0.1 g/cm3(Predicted)
LogP:4.59410
Storage Temp.:Hygroscopic, Refrigerator, Under inert atmosphere
Solubility.:Chloroform (Slightly), Methanol (Slightly)
Water Solubility.:20.4mg/L at 20℃
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:342.21949481
Heavy Atom Count:25
Complexity:679

Purity/Quality:

99.9% ^*data from raw suppliers

6,7-Dihydrocanrenone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC45CCC(=O)O5)C
Isomeric SMILES:C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C
Uses 6,7-Dihydrocanrenone (Spironolactone EP Impurity C) is an intermediate in the synthesis of Canrenone (C175610), an aldosterone antagonist. Diuretic.

Technology Process of 3-Oxopregn-4-ene-21,17alpha-carbolactone

There total 28 articles about 3-Oxopregn-4-ene-21,17alpha-carbolactone 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%

: 75219-50-0
C₂₄H₃₄O₄

: 976-70-5
3-oxopregn-4-ene-21,17α-carbolactone

Guidance literature:: With hydrogenchloride; In tetrahydrofuran; for 0.5h;
DOI:10.1021/jo00282a041

Reference yield: 87.0%

: 55542-27-3
17α-(3-hydroxypropyl)-17β-hydroxy-4-androsten-3-one

: 976-70-5
3-oxopregn-4-ene-21,17α-carbolactone

Guidance literature:: With sodium hypochlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; tetrabutyl-ammonium chloride; potassium bromide; In dichloromethane; at 10 - 15 ℃; for 6h;