Timobesone acetate

Base Information

Chemical Name:Timobesone acetate
CAS No.:79578-14-6
Molecular Formula:C₂₄H₃₁FO₅S
Molecular Weight:450.572
Hs Code.:
UNII:LGO8R495QW
Nikkaji Number:J126.253J
Wikidata:Q27282980
NCI Thesaurus Code:C90957
ChEMBL ID:CHEMBL3989896
Mol file:79578-14-6.mol

Synonyms:timobesone acetate

Suppliers and Price of Timobesone acetate

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 ACETATE 95.00%
5MG
$ 505.12

Total 3 raw suppliers

Chemical Property of Timobesone acetate

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:557.373°C at 760 mmHg
Flash Point:290.889°C
PSA：105.97000
Density:1.285g/cm³
LogP:3.79470
Water Solubility.:2.703g/L(25 oC)
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:450.18762342
Heavy Atom Count:31
Complexity:914

Purity/Quality:: TIMOBESONE ACETATE 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)OC(=O)C)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)OC(=O)C)C)O)F)C

Technology Process of Timobesone acetate

There total 5 articles about Timobesone acetate 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

: 79578-14-6
17α-acetoxy-9α-fluoro-11β-hydroxy-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: 1.) TEA, 2.) diisopropylamine / 1.) CH₂Cl₂, 0 deg C, 30 min, 2.) CH₂Cl₂, reflux, 1 h.

3: 1.) diphenyl chlorophosphate, TEA / 1.) THF, 55 deg C, 2 h, 2.) THF, DMF, 20 deg C, 2 h

With TEA; periodic acid; diisopropylamine; chlorophosphoric acid diphenyl ester; In methanol; water;
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

: 79578-14-6
17α-acetoxy-9α-fluoro-11β-hydroxy-17β-<(methylthio)carbonyl>-16β-methylandrosta-1,4-dien-3-one

Guidance literature:: Multi-step reaction with 2 steps

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

2: 1.) diphenyl chlorophosphate, TEA / 1.) THF, 55 deg C, 2 h, 2.) THF, DMF, 20 deg C, 2 h

With TEA; diisopropylamine; chlorophosphoric acid diphenyl ester;
DOI:10.1021/jo00362a028

Reference yield:

: 37927-21-2
17α-acetoxy-9α-fluoro-11β-hydroxy-16β-methyl-3-oxoandrosta-1,4-diene-17β-carboxylic acid

: 79578-14-6
17α-acetoxy-9α-fluoro-11β-hydroxy-17β-<(methylthio)carbonyl>-16β-methylandrosta-1,4-dien-3-one

Guidance literature:: Multi-step reaction with 2 steps

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

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

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