5alpha-Cholestanone oxime

Base Information

• Chemical Name: 5alpha-Cholestanone oxime
• CAS No.: 2735-21-9
• Molecular Formula: C27H47 N O
• Molecular Weight: 401.676
• NSC Number: 23921
• DSSTox Substance ID: DTXSID20430027
• ChEMBL ID: CHEMBL2420590
• Mol file: 2735-21-9.mol

Synonyms:5.alpha.-Cholestanone oxime;5.alpha.-Cholestan-3-one, oxime;Cholestan-3-one, oxime, (5.alpha.)-;2735-21-9;5a-Cholestan-3-one oxime;Cholestanone oxime;Cholestan-3-one oxime #;5.alpha.-Cholest-3one oxime;CHEMBL2420590;5.alpha.-Cholestan-3-one oxime;DTXSID20430027;YBGNTBYIXGTDRY-RIZTWRGLSA-N;NSC23921;NSC-23921

Chemical Property of 5alpha-Cholestanone oxime

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 497.318°C at 760 mmHg
• Flash Point: 331.295°C
• Density: 1.112g/cm³
• XLogP3: 9.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 401.365765123
• Heavy Atom Count: 29
• Complexity: 612

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(=NO)C4)C)C
• Isomeric SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC/C(=N\O)/C4)C)C

Technology Process of 5alpha-Cholestanone oxime

There total 7 articles about 5alpha-Cholestanone oxime 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: 93.0%

dihydrocholesterone (566-88-1) → anti-oxime of 5α-cholestan-3-one (2735-21-9)

Guidance literature:

With potassium dihydrogenphosphate; hydroxylamine hydrochloride; In ethanol; for 1h; Heating;

DOI:10.1016/j.steroids.2008.04.016

Reference yield:

Cholestanol (80-97-7) → anti-oxime of 5α-cholestan-3-one (2735-21-9)

Guidance literature:

Multi-step reaction with 2 steps

1: RuO₄ / acetic acid; CCl₄ / double dosis of INOE 2 and catalyst

2: 91 percent / HONH₂*HCl, NaOAc / H₂O; methanol / 3 h / Heating

With hydroxylamine hydrochloride; sodium acetate; ruthenium tetroxide; In methanol; tetrachloromethane; water; acetic acid;

Reference yield:

→ Cholestanonoxim-(3) (2735-21-9,22033-84-7,23498-50-2,76094-55-8,76094-58-1)

Guidance literature:

3-Acetoxyimino-cholestan, UV-Licht, Benzol;

DOI:10.1016/S0040-4039(01)88093-X

upstream raw materials:

dihydrocholesterone

Cholestanol

Downstream raw materials:

cholestan-3-one

3β-(acetylamino)-5α-cholestane

5α-cholestan-3β-yldimethylamine

3α-amino-5α-cholestane