Timobesone

Base Information

Chemical Name:Timobesone
CAS No.:87116-72-1
Molecular Formula:C₂₂H₂₉FO₄S
Molecular Weight:408.534
Hs Code.:
UNII:97TVB2O56G
DSSTox Substance ID:DTXSID80236143
NCI Thesaurus Code:C152636
Nikkaji Number:J23.316A
Wikidata:Q27272037
Wikipedia:Timobesone
Mol file:87116-72-1.mol

Synonyms:TIMOBESONE;87116-72-1;Timobesone [INN];UNII-97TVB2O56G;97TVB2O56G;S-methyl (8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioate;TIMOBESONE [WHO-DD];DTXSID80236143;HY-U00111;AKOS040740940;CS-7148;Q27272037;ANDROSTA-1,4-DIENE-17-CARBOTHIOIC ACID, 17-HYDROXY-9-FLUORO-11-HYDROXY-16-METHYL-3-OXO-, S-METHYL ESTER, (11.BETA.,16.BETA.,17.ALPHA.)-;S-METHYL 9-FLUORO-11.BETA.,17-DIHYDROXY-16B-METHYL-3-OXOANDROSTA-1,4-DIENE-17.BETA.-CARBOTHIOATE

Suppliers and Price of Timobesone

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

American Custom Chemicals Corporation
TIMOBESONE 95.00%
5MG
$ 500.63

Total 4 raw suppliers

Chemical Property of Timobesone

Chemical Property:

Boiling Point:553.0±50.0 °C(Predicted)
PKA:12.13±0.70(Predicted)
PSA：99.90000
Density:1.30±0.1 g/cm3(Predicted)
LogP:3.22390
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:408.17705874
Heavy Atom Count:28
Complexity:808

Purity/Quality:

99% ^*data from raw suppliers

TIMOBESONE 95.00% ^*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)SC)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)SC)O)C)O)F)C

Technology Process of Timobesone

There total 3 articles about Timobesone 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:

: 378-44-9
betamethasone

: 87116-72-1
11β,17α-dihydroxy-9α-fluoro-17β-<(methylthio)carbonyl>-16β-methylandrosta-1,4-dien-3-one

Guidance literature:: Multi-step reaction with 3 steps

1: 97 percent / periodic acid / methanol; H₂O / 16 h / 20 °C

2: dimethylformamide / 2 h / an ice cooled solution

3: dimethylformamide / 1 h

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

Reference yield:

: 37926-75-3
9α-fluoro-11β,17α-dihydroxy-16β-methyl-3-oxo-androsta-1,4-diene-17β-carboxylic acid

: 87116-72-1
11β,17α-dihydroxy-9α-fluoro-17β-<(methylthio)carbonyl>-16β-methylandrosta-1,4-dien-3-one

Guidance literature:: Multi-step reaction with 2 steps

1: dimethylformamide / 2 h / an ice cooled solution

2: dimethylformamide / 1 h

In N,N-dimethyl-formamide;
DOI:10.1021/jo00362a028