16-alpha-Chloro-20-oxopregn-5-en-3-beta-yl acetate

Base Information

• Chemical Name: 16-alpha-Chloro-20-oxopregn-5-en-3-beta-yl acetate
• CAS No.: 50678-52-9
• Molecular Formula: C23H33 Cl O3
• Molecular Weight: 392.966
• European Community (EC) Number: 256-708-7
• DSSTox Substance ID: DTXSID60964912
• Mol file: 50678-52-9.mol

Synonyms:EINECS 256-708-7;16-alpha-Chloro-20-oxopregn-5-en-3-beta-yl acetate;50678-52-9;C23H33ClO3;C23-H33-Cl-O3;DTXSID60964912;16-Chloro-20-oxopregn-5-en-3-yl acetate

Chemical Property of 16-alpha-Chloro-20-oxopregn-5-en-3-beta-yl acetate

Chemical Property:

• Boiling Point: 487.1oC at 760 mmHg
• Flash Point: 158.8oC
• PSA: 43.37000
• Density: 1.15g/cm3
• LogP: 5.30340
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 392.2118226
• Heavy Atom Count: 27
• Complexity: 685

Purity/Quality:

99% ^*data from raw suppliers

16ALPHA-CHLORO-3BETA-HYDROXY-5-PREGNEN-20-ONE ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)Cl
• Isomeric SMILES: CC(=O)[C@H]1[C@@H](CC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)Cl

Technology Process of 16-alpha-Chloro-20-oxopregn-5-en-3-beta-yl acetate

There total 1 articles about 16-alpha-Chloro-20-oxopregn-5-en-3-beta-yl 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:

16-dehydropregnenolone acetate (979-02-2) → 16α-chloropregnenolone-3-acetate (50678-52-9)

Guidance literature:

With hydrogenchloride; In chloroform;

Reference yield: 56.0%

16α-chloropregnenolone-3-acetate (50678-52-9) → 16-dehydropregnenolone acetate (979-02-2)

Guidance literature:

upstream raw materials:

16-dehydropregnenolone acetate

Downstream raw materials:

16-dehydropregnenolone acetate