Algestone acetonide

Base Information

• Chemical Name: Algestone acetonide
• CAS No.: 4968-09-6
• Molecular Formula: C24H34 O4
• Molecular Weight: 386.532
• European Community (EC) Number: 225-608-5
• UNII: WXD8I4Y1IH
• ChEMBL ID: CHEMBL2105960
• DSSTox Substance ID: DTXSID80964338
• Metabolomics Workbench ID: 57288
• NCI Thesaurus Code: C90967
• Nikkaji Number: J8.789K
• Wikidata: Q27121620
• Wikipedia: Algestone_acetonide
• Mol file: 4968-09-6.mol

Synonyms:16 alpha,17 alpha-isopropylidenedioxyprogesterone

Chemical Property of Algestone acetonide

Chemical Property:

• Vapor Pressure: 3.47E-10mmHg at 25°C
• Melting Point: 210°
• Boiling Point: 501.5°C at 760 mmHg
• Flash Point: 216.1°C
• PSA: 52.60000
• Density: 1.16g/cm³
• LogP: 4.60750
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 386.24570956
• Heavy Atom Count: 28
• Complexity: 782

Purity/Quality:

95-99% ^*data from raw suppliers

AlgestoneAcetonide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): A reproductive hazard.
• Hazard Codes: A reproductive hazard.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C12C(CC3C1(CCC4C3CCC5=CC(=O)CCC45C)C)OC(O2)(C)C
• Isomeric SMILES: CC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(CC[C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)C)OC(O2)(C)C
• Uses: Anti-inflammatory.

Technology Process of Algestone acetonide

There total 5 articles about Algestone acetonide 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: 75.0%

3β-acetoxy-16α,17α-isopropylidenedioxypregn-5-ene-20-one (27336-10-3) → 16α,17α-<1'-isopropylidenedioxy>pregn-4-ene-3,20-dione (4968-09-6)

Guidance literature:

With disodium hydrogenphosphate; potassium dihydrogenphosphate; D-glucose; corn-steep liquor; In water; N,N-dimethyl-formamide; at 28 ℃; for 15h; Rhodococcus sp.;

DOI:10.1016/0039-128X(89)90002-0

Reference yield: 10.0%

3β,-hydroxy-16α,17α-isopropylidenedioxy-5α-pregn-20-one (26302-61-4) → 16α,17α-<1'-isopropylidenedioxy>pregn-4-ene-3,20-dione (4968-09-6) + pregn-4-ene-9α,16α,17α-triol-3,20-dione 16,17-acetonide (124800-67-5)

Guidance literature:

In water; dimethyl sulfoxide; at 28 ℃; for 24h; Rhodococcus sp. culture, maize extract, K₂HPO₄, NaH₂PO₄*12H₂O;

DOI:10.1007/BF00766462

Reference yield:

→ 16α,17α-<1'-isopropylidenedioxy>pregn-4-ene-3,20-dione (4968-09-6)

Guidance literature:

With sulfuric acid; acetone;

upstream raw materials:

3β,-hydroxy-16α,17α-isopropylidenedioxy-5α-pregn-20-one

3β-acetoxy-16α,17α-isopropylidenedioxypregn-5-ene-20-one

Downstream raw materials:

pregn-4-ene-9α,16α,17α-triol-3,20-dione 16,17-acetonide

Refernces

• 1、 Datcheva, Violeta K.,Voishvillo, Natalia E.,Kamernitskii, Aleksei V.,Vlahov, Radoslav J.,Reshetova, Irina G.. "SYNTHESIS OF 9α-HYDROXYSTEROIDS BY A RHODOCOCCUS SP.". . p. 271 - 286. Retrieved 2007/10/02.