2-[3-(Acetyloxy)pregn-5-en-20-ylidene]hydrazine-1-carboximidic acid

Base Information

• Chemical Name: 2-[3-(Acetyloxy)pregn-5-en-20-ylidene]hydrazine-1-carboximidic acid
• CAS No.: 6192-83-2
• Molecular Formula: C24H37N3O3
• Molecular Weight: 415.5689
• DSSTox Substance ID: DTXSID20977467
• Mol file: 6192-83-2.mol

Synonyms:6192-83-2;DTXSID20977467;2-[3-(Acetyloxy)pregn-5-en-20-ylidene]hydrazine-1-carboximidic acid

Chemical Property of 2-[3-(Acetyloxy)pregn-5-en-20-ylidene]hydrazine-1-carboximidic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.3g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 415.28349205
• Heavy Atom Count: 30
• Complexity: 791

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NNC(=O)N)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C

Technology Process of 2-[3-(Acetyloxy)pregn-5-en-20-ylidene]hydrazine-1-carboximidic acid

There total 4 articles about 2-[3-(Acetyloxy)pregn-5-en-20-ylidene]hydrazine-1-carboximidic acid 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:

Pregnenolone acetate (1778-02-5) → 3β-acetoxy-pregn-5-en-20-one semicarbazone (6192-83-2)

Guidance literature:

DOI:10.1021/jo01162a011

Reference yield:

3β-acetoxy-20-methyl-21.21-diphenyl-pregnadiene-(5.20) (432027-36-6) → 3β-acetoxy-pregn-5-en-20-one semicarbazone (6192-83-2)

Guidance literature:

Multi-step reaction with 3 steps

1: chloroform; bromine / unter Kuehlung

2: chloroform; ozone / Erwaermen des Reaktionsprodukts mit Essigsaeure und Zink-Pulver

With chloroform; bromine; ozone;

Reference yield:

5.6β-dibromo-3β-acetoxy-20-methyl-21.21-diphenyl-5α-pregnene-(20) → 3β-acetoxy-pregn-5-en-20-one semicarbazone (6192-83-2)

Guidance literature:

Multi-step reaction with 2 steps

1: chloroform; ozone / Erwaermen des Reaktionsprodukts mit Essigsaeure und Zink-Pulver

With chloroform; ozone;

upstream raw materials:

Pregnenolone acetate

3β-acetoxy-20-methyl-21.21-diphenyl-pregnadiene-(5.20)