Doxibetasol

Base Information

Chemical Name:Doxibetasol
CAS No.:1879-77-2
Molecular Formula:C22H29 F O4
Molecular Weight:376.468
Hs Code.:
European Community (EC) Number:217-535-2
UNII:0JS043FG0D
DSSTox Substance ID:DTXSID401043190
Nikkaji Number:J7.799B
Wikipedia:Doxibetasol
Wikidata:Q27236870
NCI Thesaurus Code:C65476
ChEMBL ID:CHEMBL3989430
Mol file:1879-77-2.mol

Synonyms:Doxibetasol;Doxibetasol [INN];DOXYBETASOL;Doxibetasol [INN:BAN];1879-77-2;Doxibetasolum [INN-Latin];UNII-0JS043FG0D;Doxibetasolum;0JS043FG0D;GR 2/443 [as propionate];EINECS 217-535-2;GR 2/443;Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-, (11.beta.,16.beta.)-;Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-, (11beta,16beta)-;C22H29FO4;21-deoxy-betamethasone;SCHEMBL140220;CHEMBL3989430;Pregna-1,4-diene-3,20-dione, 9-fluoro-11.beta.,17-dihydroxy-16.beta.-methyl-;DTXSID401043190;Q27236870;BETAMETHASONE VALERATE IMPURITY B [ EP IMPURITY];9-Fluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione;9-FLUORO-11.BETA.,17-DIHYDROXY-16.BETA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE

Suppliers and Price of Doxibetasol

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
Doxybetasol
50mg
$ 1155.00

Total 16 raw suppliers

Chemical Property of Doxibetasol

Chemical Property:

Vapor Pressure:2.59E-13mmHg at 25°C
Melting Point:230 - 234 °C
Boiling Point:527.1°Cat760mmHg
Flash Point:272.6°C
PSA：74.60000
Density:1.25g/cm³
LogP:2.92330
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:376.20498756
Heavy Atom Count:27
Complexity:787

Purity/Quality:

99% ^*data from raw suppliers

Doxybetasol ^*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(C(CC2(C1(C(=O)C)O)C)O)F)C
Isomeric SMILES:C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)C)O)C)O)F)C
Uses Doxybetasol (Betamethasone Valerate EP Impurity B) is an impurity of Betamethasone (B327000), which is a glucocorticoid used as an anti-inflammatory agent.

Technology Process of Doxibetasol

There total 15 articles about Doxibetasol 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: 92.0%

: C₂₂H₂₈FIO₄

: 1879-77-2
16β-methyl-9α-fluoro-11β,17α-dihydroxy-1,4-pregnadiene-3,20-dione

Guidance literature:: With bismuth(III) oxide; N-ethyl-N,N-diisopropylamine; para-thiocresol; In dichloromethane; for 2h; Irradiation;

Reference yield: 80.0%

: 37413-99-3
16β-methyl-9β,11β-epoxy-17α-hydroxy-1,4-pregnadiene-3,20-dione

: 1879-77-2
16β-methyl-9α-fluoro-11β,17α-dihydroxy-1,4-pregnadiene-3,20-dione

Guidance literature:: With hydrogen fluoride; In tetrahydrofuran; dichloromethane; at -70 - 0 ℃; for 5h;
DOI:10.1080/00397910500464855

Reference yield:

: 884488-47-5
16α,17α-epoxy-3β-hydroxy-5α-pregn-9(11)-en-20-one

: 1879-77-2
16β-methyl-9α-fluoro-11β,17α-dihydroxy-1,4-pregnadiene-3,20-dione

Guidance literature:: Multi-step reaction with 6 steps

1.1: 95 percent / pyridine / 20 °C

2.1: 70 percent / triethyl orthoformate; p-toluenesulfonic acid / CH₂Cl₂ / 20 h / 20 °C

3.1: 72 percent / tetrahydrofuran; diethyl ether / 72 h / 60 °C

4.1: m-iodoxybenzoic acid; diphenyl diselenide / toluene / 22 h / Heating

4.2: 50 percent / p-toluenesulfonic acid / CH₂Cl₂ / 4 h / 20 °C

5.1: perchloric acid; 1,3-dibromo-5,5-dimethylhydantoin / dimethylformamide / 3 h / cooling

5.2: 75.8 percent / sodium hydroxide / CH₂Cl₂; methanol; H₂O / 2 h / cooling

6.1: 80 percent / hydrofluoric acid / tetrahydrofuran; CH₂Cl₂ / 5 h / -70 - 0 °C

With pyridine; perchloric acid; 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; 3-iodosylbenzoic acid; diphenyl diselenide; hydrogen fluoride; toluene-4-sulfonic acid; orthoformic acid triethyl ester; In tetrahydrofuran; diethyl ether; dichloromethane; N,N-dimethyl-formamide; toluene;
DOI:10.1080/00397910500464855