2-Hexanone, 1-hydroxy-1-phenyl-

Base Information

• Chemical Name: 2-Hexanone, 1-hydroxy-1-phenyl-
• CAS No.: 89393-04-4
• Molecular Formula: C12H16O2
• Molecular Weight: 192.25400
• DSSTox Substance ID: DTXSID80391302
• Nikkaji Number: J953.477F,J906.125H
• Mol file: 89393-04-4.mol

Synonyms:2-Hexanone, 1-hydroxy-1-phenyl-;89393-04-4;SCHEMBL593911;1-Hydroxy-1-phenylhexane-2-one;DTXSID80391302;(1R)-1-Phenyl-1-hydroxy-2-hexanone

Chemical Property of 2-Hexanone, 1-hydroxy-1-phenyl-

Chemical Property:

• PSA: 37.30000
• LogP: 2.47930
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 192.115029749
• Heavy Atom Count: 14
• Complexity: 171

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)C(C1=CC=CC=C1)O

Technology Process of 2-Hexanone, 1-hydroxy-1-phenyl-

There total 4 articles about 2-Hexanone, 1-hydroxy-1-phenyl- 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: 76.0%

2-Benzotriazol-1-yl-2-methylsulfanyl-1-phenyl-hexan-1-ol → 1-hydroxy-1-phenyl-hexan-2-one (89393-04-4)

Guidance literature:

With sulfuric acid; In methanol; water; for 24h; Ambient temperature;

DOI:10.1021/jo971389k

Reference yield:

1-(benzotriazol-1-yl)pent-1-yl methyl thioether (203131-81-1) → 1-hydroxy-1-phenyl-hexan-2-one (89393-04-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 29 percent / 1) n-BuLi / tetrahydrofuran; hexane / 1) -78 deg C, 10 min, 2) -78 deg C

2: 76 percent / H₂SO₄ / methanol; H₂O / 24 h / Ambient temperature

With n-butyllithium; sulfuric acid; In tetrahydrofuran; methanol; hexane; water;

DOI:10.1021/jo971389k

Reference yield:

n-butyl magnesium bromide (693-03-8) → 1-hydroxy-1-phenyl-hexan-2-one (89393-04-4)

Guidance literature:

upstream raw materials:

n-butyl magnesium bromide

(RS)-mandelamide

1-(benzotriazol-1-yl)pent-1-yl methyl thioether