3-Phenylhexan-2-one

Base Information

• Chemical Name: 3-Phenylhexan-2-one
• CAS No.: 6306-30-5
• Molecular Formula: C12H16O
• Molecular Weight: 176.2548
• NSC Number: 22980
• DSSTox Substance ID: DTXSID10281767
• Nikkaji Number: J1.457.488C
• Mol file: 6306-30-5.mol

Synonyms:3-phenyl-2-hexanone;6306-30-5;3-phenylhexan-2-one;NSC 22980;NSC22980;3-phenyl-hexan-2-one;SCHEMBL13385031;DTXSID10281767;NSC-22980;AKOS014315819

Chemical Property of 3-Phenylhexan-2-one

Chemical Property:

• Vapor Pressure: 0.0499mmHg at 25°C
• Boiling Point: 235.5°Cat760mmHg
• Flash Point: 92.9°C
• Density: 0.946g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 176.120115130
• Heavy Atom Count: 13
• Complexity: 157

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Phenylhexan-2-one

There total 11 articles about 3-Phenylhexan-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: 71.0%

propyl bromide (106-94-5) + 1-phenyl-acetone (103-79-7,136675-26-8) → 3-phenyl-2-hexanone (6306-30-5)

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; at 28 - 32 ℃; for 0.833333h;

DOI:10.1002/prac.19953370149

Reference yield: 71.0%

(1-chlorobutyl)benzene (27059-40-1) + acetic anhydride (108-24-7) → 3-phenyl-2-hexanone (6306-30-5)

Guidance literature:

With tetraethylammonium tosylate; In N,N-dimethyl-formamide; Ambient temperature; electroreduction: Pb-cathode, carbon-rod anode, 15mA/cm^-2;

DOI:10.1246/cl.1991.2005

Reference yield: 70.0%

cis/trans-2-phenyl-hex-2-ene (20247-89-6) → 3-phenyl-2-hexanone (6306-30-5)

Guidance literature:

With [hydroxy(tosyloxy)iodo]benzene; In methanol; at 20 ℃; for 6h;

DOI:10.1016/j.tetlet.2004.06.029

upstream raw materials:

2-methyl-1-phenyl-pentane-1,2-diol

propyl bromide

1-phenyl-acetone

1-iodo-propane

Downstream raw materials:

1-morpholino-4-phenyl-heptan-3-one; hydrochloride

3,3-Diphenyl-2-hexanone

3-(4-Nitro-phenyl)-3-phenyl-hexan-2-one

C₁₉H₂₀N₄O₆