17,21-dihydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione

Base Information

Chemical Name:17,21-dihydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione
CAS No.:13504-15-9
Molecular Formula:C22H28 O4
Molecular Weight:356.462
Hs Code.:
European Community (EC) Number:236-830-7
NSC Number:699834
UNII:EIU1L09AID
DSSTox Substance ID:DTXSID80892344
Nikkaji Number:J241.155E
Wikidata:Q27277206
ChEMBL ID:CHEMBL2005968
Mol file:13504-15-9.mol

Synonyms:Pregna-1,4,9(11)-triene-3,20-dione,17,21-dihydroxy-16b-methyl- (7CI,8CI)

Suppliers and Price of 17,21-dihydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione

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

Biosynth Carbosynth
17,21Dihydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione
50 mg
$ 1800.00

Biosynth Carbosynth
17,21Dihydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione
25 mg
$ 1000.00

Biosynth Carbosynth
17,21Dihydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione
10 mg
$ 450.00

Biosynth Carbosynth
17,21Dihydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione
5 mg
$ 250.00

Biosynth Carbosynth
17,21Dihydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione
2 mg
$ 120.00

Total 24 raw suppliers

Chemical Property of 17,21-dihydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione

Chemical Property:

Melting Point:209-212 °C(Solv: acetone (67-64-1); hexane (110-54-3))
Boiling Point:548.3°Cat760mmHg
PKA:12.53±0.70(Predicted)
Flash Point:299.4°C
PSA：74.60000
Density:1.24g/cm³
LogP:2.75290
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:356.19875937
Heavy Atom Count:26
Complexity:775

Purity/Quality:

99%, ^*data from raw suppliers

17,21Dihydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CC2C3CCC4=CC(=O)C=CC4(C3=CCC2(C1(C(=O)CO)O)C)C
Isomeric SMILES:C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@]1(C(=O)CO)O)C)C

Technology Process of 17,21-dihydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione

There total 13 articles about 17,21-dihydroxy-16beta-methylpregna-1,4,9(11)-triene-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: 81.0%

: (8S,10S,13S,14S,16S,17R)-17-Hydroxy-17-(1-methoxy-vinyl)-10,13,16-trimethyl-6,7,8,10,12,13,14,15,16,17-decahydro-cyclopenta[a]phenanthren-3-one

: 13504-15-9
17α,21-dihydroxy-16β-methylpregna-1,4,9(11)-triene-3,20-dione

Guidance literature:: With Oxone; 1-Dodecyl-1-methyl-4-oxopiperidinium trifluoromethanesulfonate; In dichloromethane; at 0 ℃; for 24h; pH = 7.5;
DOI:10.1021/jo00110a049

Reference yield:

: 37413-91-5
2-((10S,13S)-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15-octahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate

: 13209-41-1,13504-15-9,98672-79-8
(10S,13S,16R,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one

Guidance literature:: Multi-step reaction with 3 steps

1: tetrahydrofuran

2: peracetic acid / acetic acid; toluene / -10 °C

3: potassium carbonate / methanol

With peracetic acid; potassium carbonate; In tetrahydrofuran; methanol; acetic acid; toluene; 1: |Michael Addition;
DOI:10.1016/j.bmc.2013.02.009