16-Hydroxyimino-5beta-androstan-3-ol-17-one

Base Information

• Chemical Name: 16-Hydroxyimino-5beta-androstan-3-ol-17-one
• CAS No.: 18453-92-4
• Molecular Formula: C19H29NO3
• Molecular Weight: 319.444
• NSC Number: 114842
• DSSTox Substance ID: DTXSID70423383
• Mol file: 18453-92-4.mol

Synonyms:18453-92-4;AC1O4QUL;DTXSID70423383;BSTPERJCWOMXPM-CAPFRKAQSA-N;NSC114842;NSC-114842;3-Hydroxyandrostane-16,17-dione 16-oxime #;16-Hydroxyimino-5.beta.-androstan-3-ol-17-one

Chemical Property of 16-Hydroxyimino-5beta-androstan-3-ol-17-one

Chemical Property:

• Vapor Pressure: 5.51E-11mmHg at 25°C
• Boiling Point: 474.2°C at 760 mmHg
• Flash Point: 240.6°C
• Density: 1.38g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 319.21474379
• Heavy Atom Count: 23
• Complexity: 559

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(CC1CCC3C2CCC4(C3CC(=NO)C4=O)C)O
• Isomeric SMILES: CC12CCC(CC1CCC3C2CCC4(C3C/C(=N\O)/C4=O)C)O

Technology Process of 16-Hydroxyimino-5beta-androstan-3-ol-17-one

There total 4 articles about 16-Hydroxyimino-5beta-androstan-3-ol-17-one 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:

Epiandrosterone (481-29-8) → (3α,5β)-3-hydroxyandrostane-16,17-dione 16-oxime (18453-92-4)

Guidance literature:

With potassium tert-butylate; isopentyl nitrite; Yield given. Multistep reaction; 1.) t-BuOH, reflux;

DOI:10.1002/jps.2600701017

Reference yield:

Etiocholanolone (53-42-9) + isopentyl nitrite (110-46-3) → 3α-hydroxy-5β-androstane-16,17-dione-16-(Ξ)-oxime (18453-92-4,31571-22-9,31615-29-9)

Guidance literature:

Reference yield:

→ 16-Oximino-androstan-3β-ol-17-on (18453-92-4,31571-22-9,31615-29-9)

Guidance literature:

aus Androstan-3β-ol-17-on;

upstream raw materials:

Epiandrosterone

Etiocholanolone

isopentyl nitrite

Downstream raw materials:

16α-fluoro-3β-hydroxy-5α-androstan-17-one

16α-bromo-3β-hydroxy-5α-androstan-17-one

Refernces