Ticabesone propionate

Base Information

Chemical Name:Ticabesone propionate
CAS No.:73205-13-7
Molecular Formula:C₂₅H₃₂F₂O₅S
Molecular Weight:482.589
Hs Code.:2937220000
European Community (EC) Number:813-833-7
UNII:3MMC9W0495
ChEMBL ID:CHEMBL2107058
NCI Thesaurus Code:C152610
Wikidata:Q27257663
Mol file:73205-13-7.mol

Synonyms:TICABESONE PROPIONATE;73205-13-7;Ticabesone propionate [USAN];3MMC9W0495;RS-35909-00-00-0;[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-17-methylsulfanylcarbonyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate;Ticabesone propionate (USAN);UNII-3MMC9W0495;CHEMBL2107058;6alpha,9-Difluoro-11beta-hydroxy-16alpha-methyl-17-[(methylsulfanyl)carbonyl]-3-oxoandrosta-1,4-dien-17alpha-yl Propanoate;D06135;FLUTICASONE PROPIONATE IMPURITY D [EP IMPURITY];Q27257663;[(6S,9R,11S,13S,16R,17R)-6,9-Difluoro-11-hydroxy-10,13,16-trimethyl-17-methylsulfanylcarbonyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]propanoate;6.ALPHA.,9-DIFLUORO-17-((METHYLSULFANYL)CARBONYL)-11.BETA.-HYDROXY-16.ALPHA.-METHYL-3-OXOANDROSTA-1,4-DIEN-17.ALPHA.-YL PROPANOATE;ANDROSTA-1,4-DIENE-17-CARBOTHIOIC ACID, 6,9-DIFLUORO-11-HYDROXY-16-METHYL-3-OXO-17-(1-OXOPROPOXY)-, S-METHYL ESTER, (6.ALPHA.,11.BETA.,16.ALPHA.,17.ALPHA.)-;Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)-, S-methyl ester, (6alpha,11beta,16alpha,17alpha)-;S-METHYL 6.ALPHA.,9.ALPHA.-DIFLUORO-11.BETA.-HYDROXY-16.ALPHA.-METHYL-3-OXO-17.ALPHA.-PROPIONYLOXY-ANDROSTA-1,4-DIENE-17.BETA.-CARBOTHIOATE;S-Methyl 6alpha,9-difluoro-11beta,17-dihydroxy-16alpha-methyl-3-oxoandrosta-1,4-diene-17beta-carbothioate, 17-propionate

Suppliers and Price of Ticabesone propionate

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
TicabesonePropionate
100mg
$ 1390.00

Sigma-Aldrich
Fluticasone impurity D European Pharmacopoeia (EP) Reference Standard
y0000221
$ 190.00

Sigma-Aldrich
Fluticasone Related Compound D Pharmaceutical Secondary Standard; Certified Reference Material
30mg
$ 638.00

Sigma-Aldrich
Fluticasone impurity D
15mg
$ 1260.00

Medical Isotopes, Inc.
TicabesonePropionate
10 mg
$ 650.00

American Custom Chemicals Corporation
FLUTICASONE IMPURITY D 95.00%
5MG
$ 497.19

Total 26 raw suppliers

Chemical Property of Ticabesone propionate

Chemical Property:

Vapor Pressure:2.46E-15mmHg at 25°C
Melting Point:266 - 268°C
Boiling Point:569.4°Cat760mmHg
PKA:12.56±0.70(Predicted)
Flash Point:298.2°C
PSA：105.97000
Density:1.29g/cm³
LogP:4.13280
Storage Temp.:Refrigerator
Solubility.:Chloroform (Slightly), DMSO (Slightly)
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:482.19385161
Heavy Atom Count:33
Complexity:964

Purity/Quality:

99%, ^*data from raw suppliers

TicabesonePropionate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)SC
Isomeric SMILES:CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)SC
Uses Ticabesone Propionate is an impurity of Fluticasone, an antiallergic, anti-asthmatic and anti-inflammatory agent.

Technology Process of Ticabesone propionate

There total 6 articles about Ticabesone propionate 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:

: C₂₈H₃₃F₂NO₈

: 5188-07-8
sodium thiomethoxide

: 73205-13-7,79578-12-4
6α,9α-difluoro-11β-hydroxy-17β-<(methylthio)carbonyl>-17α-(propionyloxy)-16α-methylandrosta-1,4-dien-3-one

Guidance literature:: In DMF (N,N-dimethyl-formamide); water; at 40 - 50 ℃; for 0.5h;

Reference yield:

: 28416-82-2
6α,9α-difluoro-11β,17α-dihydroxy-16α-methyl-3-oxoandrosta-1,4-diene-17β-carboxylic acid

: 73205-13-7,79578-12-4
6α,9α-difluoro-11β-hydroxy-17β-<(methylthio)carbonyl>-17α-(propionyloxy)-16α-methylandrosta-1,4-dien-3-one

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) TEA, 2.) diisopropylamine / 1.) CH₂Cl₂, 0 deg C, 30 min, 2.) 20 deg C, 2 h.

2: TEA / tetrahydrofuran / 0.5 h / 20 °C

3: tetrahydrofuran; dimethylformamide / 16 h / 20 °C

With TEA; diisopropylamine; In tetrahydrofuran; N,N-dimethyl-formamide;
DOI:10.1021/jo00362a028

Reference yield:

: 2557-49-5
11β,17α,21-trihydroxy-6α,9α-difluoro-16β-methylpregna-1,4-diene-3,20-dione

: 73205-13-7,79578-12-4
6α,9α-difluoro-11β-hydroxy-17β-<(methylthio)carbonyl>-17α-(propionyloxy)-16α-methylandrosta-1,4-dien-3-one

Guidance literature:: Multi-step reaction with 4 steps

1: 94.5 percent / periodic acid / methanol; H₂O / 16 h / 20 °C

2: 1.) TEA, 2.) diisopropylamine / 1.) CH₂Cl₂, 0 deg C, 30 min, 2.) 20 deg C, 2 h.

3: TEA / tetrahydrofuran / 0.5 h / 20 °C

4: tetrahydrofuran; dimethylformamide / 16 h / 20 °C

With TEA; periodic acid; diisopropylamine; In tetrahydrofuran; methanol; water; N,N-dimethyl-formamide;
DOI:10.1021/jo00362a028