Deoxyprednisolone-16-ene

Base Information

• Chemical Name: Deoxyprednisolone-16-ene
• CAS No.: 3103-17-1
• Molecular Formula: C₂₁H₂₆O₄
• Molecular Weight: 342.435
• UNII: 690A9G75VL
• Mol file: 3103-17-1.mol

Synonyms:Deoxyprednisolone-16-ene;3103-17-1;690A9G75VL;11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione;UNII-690A9G75VL;Deoxyprednisolone-16-ene [USP];(8S,9S,10R,11S,13S,14S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-one;(11beta)-11,21-Dihydroxypregna-1,4,16-triene-3,20-dione;Pregna-1,4,16-triene-3,20-dione, 11,21-dihydroxy-, (11beta)-;AXIAZKUMDZKRSI-SCVOTXIRSA-N;SCHEMBL9504443;CS-0166439;DEOXYPREDNISOLONE-16-ENE [USP IMPURITY];11b,21-dihydroxypregna-1,4,16-triene-3,20-dione;11beta,21-dihydroxy-1,4,16-pregnatriene-3,20-dione;11.BETA.,21-DIHYDROXYPREGNA-1,4,16-TRIENE-3,20-DIONE;(11.BETA.)-11,21-DIHYDROXYPREGNA-1,4,16-TRIENE-3,20-DIONE;PREGNA-1,4,16-TRIENE-3,20-DIONE, 11,21-DIHYDROXY-, (11.BETA.)-;(8S,9S,10R,11S,13S,14S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15-decahydro-3H-cyclopenta[a]phenanthren-3-one? (Budesonide Impurity

Chemical Property of Deoxyprednisolone-16-ene

Chemical Property:

• Boiling Point: 540.0±50.0 °C(Predicted)
• Density: 1.26±0.1 g/cm3(Predicted)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 342.18310931
• Heavy Atom Count: 25
• Complexity: 730

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

11β,21-dihydroxypregna-1,4,16-triene-3,20-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC12CC(C3C(C1CC=C2C(=O)CO)CCC4=CC(=O)C=CC34C)O
• Isomeric SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC=C2C(=O)CO)CCC4=CC(=O)C=C[C@]34C)O

Technology Process of Deoxyprednisolone-16-ene

There total 1 articles about Deoxyprednisolone-16-ene 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: 89.8%

prednisolone 17,21-diacetate (17652-24-3) → 21-acetoxy-11β-hydroxyl-1,4,16-pregnatriene-3,20-dione (3044-42-6) + 17α-dehydroxyprednisolone (3103-17-1)

Guidance literature:

With potassium acetate; In N-methyl-acetamide;

Reference yield: 53.0%

p-methoxyl benzaldoxime (3717-21-3,3717-22-4,140461-28-5,140461-29-6,3235-04-9) + 17α-dehydroxyprednisolone (3103-17-1) → (16S,17R)-3′-(4-methoxyphenyl)-11β,21-dihydroxy-4′H-pregna-1,4-dieno[16,17-d]isoxazole-3,20-dione

Guidance literature:

p-methoxyl benzaldoxime; With sodium hydrogencarbonate; In dichloromethane; water; for 0.166667h; Inert atmosphere;

17α-dehydroxyprednisolone; With triethylamine; In dichloromethane; water; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1016/j.steroids.2014.12.016

Reference yield: 36.0%

17α-dehydroxyprednisolone (3103-17-1) + 4-chlorobenzaldoxime (3848-36-0) → (16S,17R)-3′-(4-chlorophenyl)-11β,21-dihydroxy-4′H-pregna-1,4-dieno[16,17-d]isoxazole-3,20-dione

Guidance literature:

4-chlorobenzaldoxime; With sodium hydrogencarbonate; In dichloromethane; water; for 0.166667h; Inert atmosphere;

17α-dehydroxyprednisolone; With triethylamine; In dichloromethane; water; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1016/j.steroids.2014.12.016

upstream raw materials:

prednisolone 17,21-diacetate

Downstream raw materials:

desonide

Refernces