5-Bromo-6-oxocholestan-3-yl acetate

Base Information

• Chemical Name: 5-Bromo-6-oxocholestan-3-yl acetate
• CAS No.: 14956-20-8
• Molecular Formula: C29H47 Br O3
• Molecular Weight: 523.594
• NSC Number: 128353
• DSSTox Substance ID: DTXSID70933674
• Mol file: 14956-20-8.mol

Synonyms:14956-20-8;5-bromo-6-oxocholestan-3-yl acetate;NSC128353;DTXSID70933674;NSC-128353

Chemical Property of 5-Bromo-6-oxocholestan-3-yl acetate

Chemical Property:

• Vapor Pressure: 1.18E-11mmHg at 25°C
• Boiling Point: 538.2°C at 760 mmHg
• Flash Point: 279.3°C
• Density: 1.17g/cm³
• XLogP3: 9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 522.27086
• Heavy Atom Count: 33
• Complexity: 764

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(CCC3C2CC(=O)C4(C3(CCC(C4)OC(=O)C)C)Br)C

Technology Process of 5-Bromo-6-oxocholestan-3-yl acetate

There total 3 articles about 5-Bromo-6-oxocholestan-3-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:

Cholesteryl acetate (604-35-3) → cholestanetriol (1253-84-5) + 3β-acetoxy-5α-hydroxycholestan-6-one (6580-09-2,14956-13-9,60803-77-2,96478-98-7,1258-38-4) + 5α-bromo-6-ketocholestan-3β-yl acetate (14956-20-8) + 6α-bromo-5β-hydroxy-cholestan-3β-yl acetate (117141-97-6)

Guidance literature:

With N-Bromosuccinimide; In dimethyl sulfoxide; for 312h; Further byproducts given; Ambient temperature;

Reference yield:

Cholesteryl acetate (604-35-3) → cholestanetriol (1253-84-5) + 3β,5-dihydroxy-5α-cholestan-6-one (2953-37-9,6580-08-1,16526-63-9,97100-50-0,115792-36-4,13027-33-3) + 3β-acetoxycholestane-5α,6β-diol (2701-08-8,35089-26-0,98076-44-9,117465-73-3,123285-93-8,1857-99-4) + 3β-acetoxy-5α-hydroxycholestan-6-one (6580-09-2,14956-13-9,60803-77-2,96478-98-7,1258-38-4) + 5α-bromo-6-ketocholestan-3β-yl acetate (14956-20-8) + 6α-bromo-5β-hydroxy-cholestan-3β-yl acetate (117141-97-6)

Guidance literature:

With N-Bromosuccinimide; In dimethyl sulfoxide; for 312h; Mechanism; Ambient temperature;

Reference yield:

Cholesteryl acetate (604-35-3) → 3β,5-dihydroxy-5α-cholestan-6-one (2953-37-9,6580-08-1,16526-63-9,97100-50-0,115792-36-4,13027-33-3) + 3β-acetoxy-5α-hydroxycholestan-6-one (6580-09-2,14956-13-9,60803-77-2,96478-98-7,1258-38-4) + 5α-bromo-6-ketocholestan-3β-yl acetate (14956-20-8) + 6α-bromo-5β-hydroxy-cholestan-3β-yl acetate (117141-97-6)

Guidance literature:

With N-Bromosuccinimide; In dimethyl sulfoxide; for 312h; Further byproducts given; Ambient temperature;

upstream raw materials:

Cholesteryl acetate

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