Algestone acetophenide

Base Information

• Chemical Name: Algestone acetophenide
• CAS No.: 1179-87-9
• Molecular Formula: C29H36 O4
• Molecular Weight: 448.602
• European Community (EC) Number: 214-649-4,246-195-8
• NSC Number: 68280,67831
• UNII: T379IG5RV1
• DSSTox Substance ID: DTXSID401017068
• Nikkaji Number: J203.435B
• Wikipedia: Algestone_acetophenide
• Wikidata: Q27115862
• NCI Thesaurus Code: C90968
• Metabolomics Workbench ID: 54926
• ChEMBL ID: CHEMBL2105993
• Mol file: 1179-87-9.mol

Synonyms:Acetophenide, Algestone;Acetophenide, Alphasone;Acetophenide, Dihydroxyprogesterone;Algestone Acetophenide;Alphasone Acetophenide;Dihydroxyprogesterone Acetophenide;Pregn-4-ene-3,20-dione, 16,17-((1-phenylethylidene)bis(oxy))-, (16alpha(R))-

Chemical Property of Algestone acetophenide

Chemical Property:

• Vapor Pressure: 1.22E-13mmHg at 25°C
• Melting Point: 146-150 °C
• Boiling Point: 579°Cat760mmHg
• Flash Point: 246.7°C
• PSA: 52.60000
• Density: 1.19g/cm³
• LogP: 5.74430
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 448.26135963
• Heavy Atom Count: 33
• Complexity: 901

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C12C(CC3C1(CCC4C3CCC5=CC(=O)CCC45C)C)OC(O2)(C)C6=CC=CC=C6
• 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)C6=CC=CC=C6

Technology Process of Algestone acetophenide

There total 2 articles about Algestone acetophenide 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: 78.0%

R-16α,17-dihydroxy-pregn-4-ene-3,20-dione (595-77-7) + acetophenone (98-86-2) → algestone acetophenide (1179-87-9)

Guidance literature:

With perchloric acid; at 20 ℃; for 10h; Reagent/catalyst; Temperature;

Reference yield:

→ (6bS,9aR)-6b-Acetyl-4a,6a,8-trimethyl-8-phenyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-7,9-dioxa-pentaleno[2,1-a]phenanthren-2-one (1179-87-9,24356-94-3,147201-97-6)

Guidance literature:

Di-OH-Verb. 1, Carbonylverb.;

upstream raw materials:

R-16α,17-dihydroxy-pregn-4-ene-3,20-dione

acetophenone

Refernces