17-Hydroxypregn-4-ene-3,20-dione 17-heptanoate

Base Information

• Chemical Name: 17-Hydroxypregn-4-ene-3,20-dione 17-heptanoate
• CAS No.: 4596-16-1
• Molecular Formula: C28H42 O4
• Molecular Weight: 442.639
• European Community (EC) Number: 224-995-8
• Mol file: 4596-16-1.mol

Synonyms:17-Hydroxypregn-4-ene-3,20-dione 17-heptanoate

Chemical Property of 17-Hydroxypregn-4-ene-3,20-dione 17-heptanoate

Chemical Property:

• Vapor Pressure: 4.78E-12mmHg at 25°C
• Boiling Point: 547.7°Cat760mmHg
• Flash Point: 231.4°C
• PSA: 60.44000
• Density: 1.09g/cm³
• LogP: 6.35970
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 442.30830982
• Heavy Atom Count: 32
• Complexity: 812

Purity/Quality:

98%min ^*data from raw suppliers

17α-HydroxyprogesteroneHeptanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(=O)C
• Uses: 17α-Hydroxyprogesterone Heptanoate can be used in therapeutic use and biological study of pharmaceutical compounds and methods of use thereof for treating gender-biased immune disorders.

Technology Process of 17-Hydroxypregn-4-ene-3,20-dione 17-heptanoate

There total 4 articles about 17-Hydroxypregn-4-ene-3,20-dione 17-heptanoate 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:

3β-formyloxy-17-heptanoyloxy-pregn-5-en-20-one → 17-heptanoyloxy-pregn-4-ene-3,20-dione (4596-16-1)

Guidance literature:

With cyclohexanone; aluminum isopropoxide;

DOI:10.1021/jo01108a601

Reference yield:

n-heptanoic anhydride (626-27-7) → 17-heptanoyloxy-pregn-4-ene-3,20-dione (4596-16-1)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene-4-sulfonic acid; benzene

2: cyclohexanone; aluminium isopropylate

With cyclohexanone; aluminum isopropoxide; toluene-4-sulfonic acid; benzene;

DOI:10.1021/jo01108a601

Reference yield:

3β-formyloxy-17-hydroxy-pregn-5-en-20-one (20867-15-6) → 17-heptanoyloxy-pregn-4-ene-3,20-dione (4596-16-1)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene-4-sulfonic acid; benzene

2: cyclohexanone; aluminium isopropylate

With cyclohexanone; aluminum isopropoxide; toluene-4-sulfonic acid; benzene;

DOI:10.1021/jo01108a601

upstream raw materials:

n-heptanoic anhydride

3β-acetoxy-17α-hydroxy-5-pregnen-20-one

3β-formyloxy-17-hydroxy-pregn-5-en-20-one