6,7-Desmethylene drospirenone

Base Information

Chemical Name:6,7-Desmethylene drospirenone
CAS No.:67372-68-3
Molecular Formula:C₂₃H₃₀O₃
Molecular Weight:354.489
Hs Code.:
European Community (EC) Number:812-803-0
UNII:3N90W9C3DW
DSSTox Substance ID:DTXSID50217727
Wikidata:Q27257730
Mol file:67372-68-3.mol

Synonyms:6,7-Desmethylene drospirenone;67372-68-3;Drospirenone impurity A;6,7-Desmethylenedrospirenone;6,7-Demethylene Drospirenone;3N90W9C3DW;(1'R,2'R,3'S,5S,5'S,7'S,10'S,11'R)-7',11'-dimethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;UNII-3N90W9C3DW;Drospirenone impurity A [EP];SCHEMBL18218187;DTXSID50217727;Drospirenone impurity, 6,7-desmethylene drospirenone- [USP];15beta,16beta-Methylene-3-oxo-17alpha-pregn-4-ene-21,17-carbolactone;17beta-Hydroxy-15beta,16beta-methylene-3-oxo-17alpha-pregn-4-ene-21-carboxylic acid gamma-lactone;3'H-Cyclopropa(15,16)pregna-4,15-diene-21-carboxylic acid, 15,16-dihydro-17-hydroxy-3-oxo-, gamma-lactone, (15alpha,16alpha,17alpha)-;DROSPIRENONE IMPURITY A [EP IMPURITY];Q27257730;15beta,16beta-Methylene-3-oxo-17alpha-pregna-4-ene-21,17-carbolactone;DROSPIRENONE IMPURITY, 6,7-DESMETHYLENE DROSPIRENONE- [USP IMPURITY];15.BETA.,16.BETA.-METHYLENE-3-OXO-17.ALPHA.-PREGN-4-ENE-21,17-CARBOLACTONE;17.BETA.-HYDROXY-15.BETA.,16.BETA.-METHYLENE-3-OXO-17.ALPHA.-PREGN-4-ENE-21-CARBOXYLIC ACID .GAMMA.-LACTONE;3'H-CYCLOPROPA(15,16)PREGNA-4,15-DIENE-21-CARBOXYLIC ACID, 15,16-DIHYDRO-17-HYDROXY-3-OXO-, .GAMMA.-LACTONE, (15.ALPHA.,16.ALPHA.,17.ALPHA.)-

Suppliers and Price of 6,7-Desmethylene drospirenone

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-DemethyleneDrospirenone
2.5mg
$ 185.00

Biosynth Carbosynth
6,7-Demethylene drospirenone
1 mg
$ 147.00

Biosynth Carbosynth
6,7-Demethylene drospirenone
25 mg
$ 1680.00

Biosynth Carbosynth
6,7-Demethylene drospirenone
10 mg
$ 840.00

Biosynth Carbosynth
6,7-Demethylene drospirenone
5 mg
$ 498.80

Biosynth Carbosynth
6,7-Demethylene drospirenone
2 mg
$ 273.00

Total 10 raw suppliers

Chemical Property of 6,7-Desmethylene drospirenone

Chemical Property:

PSA：43.37000
LogP:4.45000
Storage Temp.:Hygroscopic, Refrigerator, Under Inert Atmosphere
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:354.21949481
Heavy Atom Count:26
Complexity:753

Purity/Quality:

99%, ^*data from raw suppliers

6,7-DemethyleneDrospirenone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC(=O)C=C1CCC3C2CCC4(C3C5CC5C46CCC(=O)O6)C
Isomeric SMILES:C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3[C@@H]5C[C@@H]5[C@@]46CCC(=O)O6)C
Uses 6,7-Demethylene Drospirenone (Drospirenone EP Impurity A) is an intermediate in the synthesis of Drospirenone (D689500). Drospirenone impurity. An intermediate in the synthesis of Drospirenon

Technology Process of 6,7-Desmethylene drospirenone

There total 1 articles about 6,7-Desmethylene drospirenone 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:

: 81721-30-4
3β-hydroxy-15β,16β-methylene-17α-pregn-5-ene-21,17-carbolactone

: 67372-68-3
3-oxo-15β,16β-methylene-17α-pregn-4-en-21,17-carbolactone

Guidance literature:: aluminum isopropoxide; In cyclohexanone; toluene; for 3h; Heating / reflux;

Reference yield:

: 67372-68-3
3-oxo-15β,16β-methylene-17α-pregn-4-en-21,17-carbolactone

: 101765-35-9
6,6-ethylene-15β,16β-methylene-3-oxo-17α-pregn-4-ene-21,17-carbolactone

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) pyrrolidine / 1.) methanol, reflux, 15 min, 2.) ethanol, benzene, H₂O, 30 min

2: aq. HCl / dioxane / 2 h

3: 1.) NaH / 1.) DMSO, RT, 1.5 h, 2.) DMSO, RT, 50 min

With pyrrolidine; hydrogenchloride; sodium hydride; In 1,4-dioxane;
DOI:10.1021/jm00112a022