Pregn-11-ene-3, (5beta)-

Base Information

• Chemical Name: Pregn-11-ene-3, (5beta)-
• CAS No.: 1096-39-5
• Molecular Formula: C21H30 O2
• Molecular Weight: 314.4617
• NSC Number: 54703
• DSSTox Substance ID: DTXSID10911254
• ChEMBL ID: CHEMBL1864238
• Mol file: 1096-39-5.mol

Synonyms:MLS002667696;NSC-54703;NCIOpen2_007188;CHEMBL1864238;DTXSID10911254;HMS3080I22;NSC54703;Pregn-11-ene-3, (5.beta.)-;SMR001557456

Chemical Property of Pregn-11-ene-3, (5beta)-

Chemical Property:

• Boiling Point: 428.6°Cat760mmHg
• Flash Point: 160.1°C
• PSA: 34.14000
• Density: 1.065g/cm³
• LogP: 4.57940
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 314.224580195
• Heavy Atom Count: 23
• Complexity: 576

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)C1CCC2C1(C=CC3C2CCC4C3(CCC(=O)C4)C)C

Technology Process of Pregn-11-ene-3, (5beta)-

There total 14 articles about Pregn-11-ene-3, (5beta)- 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:

→ 5β-H-11-pregnene-3,20-dione (1096-39-5)

Guidance literature:

With aluminum oxide;

DOI:10.1002/hlca.19510340109 DOI:10.1021/jo01095a004

Reference yield:

→ 5β-H-11-pregnene-3,20-dione (1096-39-5)

Guidance literature:

With chromium(VI) oxide; acetic acid;

DOI:10.1002/hlca.194402701107

Reference yield:

3α,12α-dihydroxy-5β-pregnan-20-one (6951-91-3) → 5β-H-11-pregnene-3,20-dione (1096-39-5)

Guidance literature:

Multi-step reaction with 4 steps

1: benzene; pyridine

2: dioxane; potassium glycine ate / weiteres Reagens: Aethanol

3: chromium (VI)-oxide; acetic acid

4: 300 °C / 0.05 Torr

With 1,4-dioxane; pyridine; chromium(VI) oxide; potassium glycinate; acetic acid; benzene;

DOI:10.1002/hlca.194402701107

upstream raw materials:

2,4,6-trimethyl-pyridine

12α-(toluene-sulfonyl-(4)-oxy)-5β-pregnanedione-(3,20)

12α-bromo-11β-hydroxy-5β-pregnane-3,20-dione

3α-hydroxy-5β-pregn-11-en-20-one

Downstream raw materials:

delta11-Progesterone