[2-[(6S,9R,11S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate

Base Information

• Chemical Name: [2-[(6S,9R,11S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate
• CAS No.: 2002-29-1
• Molecular Formula: C27H36F2O6
• Molecular Weight: 494.576
• Hs Code.: 2937220000
• DSSTox Substance ID: DTXSID7049005
• ChEMBL ID: CHEMBL2359842
• Mol file: 2002-29-1.mol

Synonyms:DTXSID7049005;[2-[(6S,9R,11S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate;C27H36F2O6;Flumethasone pivalate [USAN:BAN];NCGC00022408-03;CHEMBL2359842;DTXCID2028931;6alpha,9alpha-Difluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione, 21-pivalate;Pregna-1,4-diene-3,20-dione, 21-(2,2-dimethyl-1-oxopropoxy)-6,9-difluoro-11,17-dihydroxy-16-methyl-, (6alpha,11beta,16alpha)-;Pregna-1,4-diene-3,20-dione, 6-alpha,9-difluoro-11-beta,17,21-trihydroxy-16-alpha-methyl-, 21-pivalate;Pregna-1,4-diene-3,20-dione, 6alpha,9-difluoro-11beta,17,21-trihydroxy-16alpha-methyl-, 21-pivalate;Tox21_113499;CAS-2002-29-1;LS-118449;Pregna-1,4-diene-3,20-dione, 6-alpha,9-difluoro-11-beta,17,21-trihydroxy-16-alpha-methyl-,21-pivalate

Chemical Property of [2-[(6S,9R,11S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate

Chemical Property:

• Vapor Pressure: 6.51E-17mmHg at 25°C
• Refractive Index: 1.55
• Boiling Point: 600.3 °C at 760 mmHg
• PKA: 11.86±0.70(Predicted)
• Flash Point: 316.8 °C
• PSA: 100.90000
• Density: 1.27 g/cm³
• LogP: 3.44070
• Storage Temp.: Refrigerator
• Solubility.: dioxane: soluble4.0ML, clear, colorless to very faintly yellow (
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 494.24799519
• Heavy Atom Count: 35
• Complexity: 1030

Purity/Quality:

98% ^*data from raw suppliers

Flumethasone21-Pivalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 40
• Safety Statements: 22-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C(C)(C)C)O)C)O)F)C)F
• Isomeric SMILES: C[C@@H]1C[C@H]2C3C[C@@H](C4=CC(=O)C=CC4([C@]3([C@H](CC2([C@]1(C(=O)COC(=O)C(C)(C)C)O)C)O)F)C)F
• Uses: An anti-inflammatory anti-itching corticosteroid found in topical creams. flumethasone pivalate is a moderately potent difluorinated corticosteroid ester with anti-inflammatory, antipruritic and vasoconstrictive properties. As it is a pivalate, its anti-inflammatory action is concentrated at the site of application. This local effect on diseased areas results in a prompt decrease in inflammation, exudation and itching.

Technology Process of [2-[(6S,9R,11S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate

There total 2 articles about [2-[(6S,9R,11S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate 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:

→ 2,2-Dimethyl-propionic acid 2-((6S,9R,11S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl ester (2002-29-1,67438-34-0)

Guidance literature:

Aus XXI;

Reference yield:

→ 11β,17α,21-Trihydroxy-6α,9α-difluor-16α-methyl-1,4-pregnadien-3,20-dion 21-trimethylacetat (2002-29-1,67438-34-0)

Guidance literature:

entspr. Trihydroxypregnadien, Py., Trimethylessigsaeureanhydrid;

Reference yield:

flumethasone pivalate (2002-29-1) → flumetasone (2135-17-3)

Guidance literature:

With Curvularia lunata; In water; at 30 ℃; for 72h; Yield given;

Downstream raw materials:

flumetasone