9alpha-Chlorocortisol acetate

Base Information

• Chemical Name: 9alpha-Chlorocortisol acetate
• CAS No.: 29042-01-1
• Molecular Formula: C23H31 Cl O6
• Molecular Weight: 438.9416
• NSC Number: 21917
• UNII: N2W994Y9JX
• Nikkaji Number: J2.793.772A
• Wikidata: Q27148943
• Mol file: 29042-01-1.mol

Synonyms:9alpha-Chlorocortisol acetate;UNII-N2W994Y9JX;N2W994Y9JX;29042-01-1;9.alpha.-Chlorocortisol acetate;NSC 21917;NSC-21917;9-Chloro-11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-acetate;MLS002638826;SCHEMBL9277100;CHEBI:79807;NSC21917;Pregn-4-ene-3,20-dione, 9-chloro-11.beta.,17,21-trihydroxy-, 21-acetate;Pregn-4-ene-3,20-dione, 21-(acetyloxy)-9-chloro-11,17-dihydroxy-, (11.beta.)-;9-Chloro-17-hydroxycorticosterone 21-acetate;Q27148943;CORTICOSTERONE, 9-CHLORO-17-HYDROXY-, 21-ACETATE;CORTICOSTERONE, 9.ALPHA.-CHLORO-17-HYDROXY-, ACETATE;Pregn-4-ene-3, 9-chloro-11.beta.,17,21-trihydroxy-, 21-acetate;Pregn-4-ene-3, 9-chloro-11.beta.,17-21-trihydroxy-, 21-acetate;Pregn-4-ene-3, 21-(acetyloxy)-9-chloro-11,17-dihydroxy-, (11.beta.)-

Chemical Property of 9alpha-Chlorocortisol acetate

Chemical Property:

• Vapor Pressure: 3.92E-17mmHg at 25°C
• Boiling Point: 604.5°Cat760mmHg
• Flash Point: 319.4°C
• Density: 1.32g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 438.1809164
• Heavy Atom Count: 30
• Complexity: 838

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC(=O)C1(CCC2C1(CC(C3(C2CCC4=CC(=O)CCC43C)Cl)O)C)O
• Isomeric SMILES: CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)CC[C@@]43C)Cl)O)C)O

Technology Process of 9alpha-Chlorocortisol acetate

There total 7 articles about 9alpha-Chlorocortisol 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:

21-acetoxy-9,11β-epoxy-17-hydroxy-9β-pregn-4-ene-3,20-dione (4383-30-6,96843-90-2) → 21-acetoxy-9-chloro-11β,17-dihydroxy-pregn-4-ene-3,20-dione (29042-01-1)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/ja01562a030

Reference yield:

Epicortisol (566-35-8) → 21-acetoxy-9-chloro-11β,17-dihydroxy-pregn-4-ene-3,20-dione (29042-01-1)

Guidance literature:

Multi-step reaction with 5 steps

1: dann mit Methansulfonylchlorid

2: sodium acetate; acetic acid

3: HClO₄; aqueous dioxane

4: dioxane; potassium acetate; ethanol

5: HCl

With 1,4-dioxane; hydrogenchloride; perchloric acid; ethanol; potassium acetate; sodium acetate; acetic acid;

DOI:10.1021/ja01562a030

Reference yield:

anecortave (7753-60-8) → 21-acetoxy-9-chloro-11β,17-dihydroxy-pregn-4-ene-3,20-dione (29042-01-1)

Guidance literature:

Multi-step reaction with 3 steps

1: HClO₄; aqueous dioxane

2: dioxane; potassium acetate; ethanol

3: HCl

With 1,4-dioxane; hydrogenchloride; perchloric acid; ethanol; potassium acetate;

DOI:10.1021/ja01562a030

upstream raw materials:

21-acetoxy-9,11β-epoxy-17-hydroxy-9β-pregn-4-ene-3,20-dione

Epicortisol

anecortave

21-acetoxy-9-bromo-11β,17-dihydroxy-pregn-4-ene-3,20-dione