3-(Phenylselanyl)butan-2-one

Base Information

• Chemical Name: 3-(Phenylselanyl)butan-2-one
• CAS No.: 72017-05-1
• Molecular Formula: C10H12OSe
• Molecular Weight: 227.165
• DSSTox Substance ID: DTXSID70502480
• Nikkaji Number: J812.055B
• Mol file: 72017-05-1.mol

Synonyms:3-(Phenylselanyl)butan-2-one;72017-05-1;DTXSID70502480

Chemical Property of 3-(Phenylselanyl)butan-2-one

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 228.00534
• Heavy Atom Count: 12
• Complexity: 150

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(C(=O)C)[Se]C1=CC=CC=C1

Technology Process of 3-(Phenylselanyl)butan-2-one

There total 6 articles about 3-(Phenylselanyl)butan-2-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: 41.0%

Benzeneselenol (645-96-5) + but-3-yn-2-ol (2028-63-9) → 3-(phenylselanyl)butan-2-one (72017-05-1)

Guidance literature:

but-3-yn-2-ol; With palladium diacetate; gold(I) chloride; In nitromethane; at 20 ℃; for 0.0833333h; Inert atmosphere;

Benzeneselenol; In nitromethane; at 80 ℃; for 24h; regioselective reaction; Inert atmosphere;

DOI:10.1002/chem.201304111

Reference yield: 4.0%

Thallous Phenyl Selenide (72017-00-6) + 3-bromo-butanone (814-75-5) → diphenyl diselenide (1666-13-3) + 3-(phenylselanyl)butan-2-one (72017-05-1)

Guidance literature:

In diethyl ether; for 24h;

DOI:10.1021/jo01289a018

Reference yield:

Benzeneselenol (645-96-5) → 3-(phenylselanyl)butan-2-one (72017-05-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 91 percent / SO₂Cl₂ / petroleum ether; CHCl₃ / 0.5 h

2: 2.) thiourea, H₂O / 1.) CH₃CN, -30 deg C, 480 min, 2.) acetone, CH₂Cl₂

With sulfuryl dichloride; water; thiourea; In chloroform; Petroleum ether;

DOI:10.1055/s-1997-1509

upstream raw materials:

Thallous Phenyl Selenide

3-bromo-butanone

Phenylselenyl bromide

butanone

Downstream raw materials:

diphenyl diselenide