4-Chloro-19-nortestosterone acetate

Base Information

• Chemical Name: 4-Chloro-19-nortestosterone acetate
• CAS No.: 1164-99-4
• Molecular Formula: C20H27 Cl O3
• Molecular Weight: 350.886
• European Community (EC) Number: 214-613-8
• UNII: JKP2S7674A
• DSSTox Substance ID: DTXSID10922042
• Nikkaji Number: J203.423I
• Wikipedia: Norclostebol_acetate
• Wikidata: Q27281553
• Mol file: 1164-99-4.mol

Synonyms:4-chloro-19-nortestosterone acetate;NCITA cpd

Chemical Property of 4-Chloro-19-nortestosterone acetate

Chemical Property:

• Boiling Point: 456.6°Cat760mmHg
• Flash Point: 161.2°C
• PSA: 43.37000
• Density: 1.2g/cm³
• LogP: 4.62640
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 350.1648724
• Heavy Atom Count: 24
• Complexity: 610

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)OC1CCC2C1(CCC3C2CCC4=C(C(=O)CCC34)Cl)C
• Isomeric SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C(C(=O)CC[C@H]34)Cl)C

Technology Process of 4-Chloro-19-nortestosterone acetate

There total 6 articles about 4-Chloro-19-nortestosterone 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: 75.0%

19-nortestosterone acetate (1425-10-1) → 17β-acetoxy-4-chloro-estr-4-en-3-one (1164-99-4)

Guidance literature:

With pyridine; sulfuryl dichloride; for 1h; Ambient temperature;

Reference yield:

19-nortestosterone (434-22-0) + acetic anhydride (108-24-7) → 17β-acetoxy-4-chloro-estr-4-en-3-one (1164-99-4)

Guidance literature:

Multistep reaction; (i) Py, (ii) SO₂Cl₂, Py;

DOI:10.1021/jm00249a018

Reference yield:

19-nortestosterone acetate (1425-10-1) + pyridine hydrochloride (628-13-7) → 17β-acetoxy-4-chloro-estr-4-en-3-one (1164-99-4)

Guidance literature:

With dihydrogen peroxide;

upstream raw materials:

19-nortestosterone acetate

pyridine hydrochloride

19-nortestosterone

acetic anhydride

Downstream raw materials:

6-dehydro-19-nortestosterone acetate

norclostebol

17-β-estradiol 17-acetate

Refernces

• 1、 Templeton, John F.,Majid, Samar,Marr, Angelina,Marat, Kirk. "Zinc-Acetic Acid Reduction of the Steroid 4-En-3-one: Novel Conversion of the 4-En-3-one into the 2-En-4-one via a Vinyl Chloride". . p. 2581 - 2584. Retrieved 2007/10/02.