1-Hydroxy-2,4-dimethyl-1-phenylpentan-3-one

Base Information

• Chemical Name: 1-Hydroxy-2,4-dimethyl-1-phenylpentan-3-one
• CAS No.: 61878-72-6
• Molecular Formula: C13H18O2
• Molecular Weight: 206.285
• DSSTox Substance ID: DTXSID30532809
• Nikkaji Number: J1.129.559B
• Mol file: 61878-72-6.mol

Synonyms:1-Hydroxy-2,4-dimethyl-1-phenylpentan-3-one;61878-72-6;DTXSID30532809

Chemical Property of 1-Hydroxy-2,4-dimethyl-1-phenylpentan-3-one

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 206.130679813
• Heavy Atom Count: 15
• Complexity: 205

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Hydroxy-2,4-dimethyl-1-phenylpentan-3-one

There total 17 articles about 1-Hydroxy-2,4-dimethyl-1-phenylpentan-3-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: 95.0%

(Z)-4-methyl-3-trimethylsilyloxy-2-pentene (19980-41-7) + benzaldehyde (100-52-7) → 2,4-dimethyl-1-hydroxy-1-phenyl-3-pentanone (61878-72-6)

Guidance literature:

dimethyl-diisopropyl-bisoxazoline derivative; Cu()Tf)2; In ethanol; water; at 5 ℃; for 20h;

DOI:10.1016/S0040-4020(99)00440-8

Reference yield: 86.0%

ethyl isopropyl ketone (565-69-5) + benzaldehyde (100-52-7) → 2,4-dimethyl-1-hydroxy-1-phenyl-3-pentanone (61878-72-6)

Guidance literature:

ethyl isopropyl ketone; With n-butyllithium; trimethyl(tert-butylamino)silane; In tetrahydrofuran; hexane; at 20 ℃; for 0.00833333h;

benzaldehyde; In tetrahydrofuran; hexane; at -78 ℃; for 0.166667h;

DOI:10.1002/anie.200350979

Reference yield: 72.0%

ethyl isopropyl ketone (565-69-5) + benzaldehyde (100-52-7) → (1SR,2SR)-1-hydroxy-2,4-dimethyl-1-phenylpentan-3-one (71699-19-9,61878-72-6,71699-20-2,102285-78-9,102285-79-0)

Guidance literature:

ethyl isopropyl ketone; With cyclohexylBI₂*MeCN; N-ethyl-N,N-diisopropylamine; In dichloromethane; at -78 ℃; for 1h;

benzaldehyde; In dichloromethane; at -78 ℃; for 3h;

With dihydrogen peroxide; In methanol; diethyl ether; at 0 ℃; for 3h;

DOI:10.1002/1522-2675(200210)85:10<3027::AID-HLCA3027>3.0.CO;2-H

upstream raw materials:

(Z)-4-methyl-3-trimethylsilyloxy-2-pentene

benzaldehyde

trimethyl[(1-isopropylpropenyl)oxy]silane

ethyl isopropyl ketone