3-Hydroxy-2,2,4-trimethylvalerophenone

Base Information

• Chemical Name: 3-Hydroxy-2,2,4-trimethylvalerophenone
• CAS No.: 96863-69-3
• Molecular Formula: C14H20O2
• Molecular Weight: 220.3074
• DSSTox Substance ID: DTXSID00914274
• Nikkaji Number: J1.106.458B

Synonyms:BRN 3607323;3-Hydroxy-2,2,4-trimethylvalerophenone;Valerophenone, 3-hydroxy-2,2,4-trimethyl-;3-Hydroxy-1-phenyl-2,2,4-trimethyl-1-pentanone;1-Pentanone, 3-hydroxy-1-phenyl-2,2,4-trimethyl-;96863-69-3;3-hydroxy-2,2,4-trimethyl-1-phenylpentan-1-one;DTXSID00914274;LS-101989;1-Phenyl-2,2,4-trimethyl-3-hydroxy-1-pentanone

Chemical Property of 3-Hydroxy-2,2,4-trimethylvalerophenone

Chemical Property:

• Vapor Pressure: 4.94E-05mmHg at 25°C
• Boiling Point: 334.8°C at 760 mmHg
• Flash Point: 142.3°C
• Density: 1.009g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 220.146329876
• Heavy Atom Count: 16
• Complexity: 237

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Hydroxy-2,2,4-trimethylvalerophenone

There total 3 articles about 3-Hydroxy-2,2,4-trimethylvalerophenone 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: 96.0%

isobutyraldehyde (78-84-2) + 2-iodo-2-methyl-1-phenylpropan-1-one → 3-hydroxy-2,2,4-trimethyl-1-phenylpentan-1-one (96863-69-3)

Guidance literature:

With 2,6-dimethylpyridine; 9-bora-bicyclo[3.3.1]nonane; In tetrahydrofuran; at 20 ℃;

DOI:10.1246/bcsj.76.813

Reference yield: 73.0%

isobutyraldehyde (78-84-2) + phenyl isopropyl ketone (611-70-1) → 3-hydroxy-2,2,4-trimethyl-1-phenylpentan-1-one (96863-69-3)

Guidance literature:

With chloro-trimethyl-silane; tributyl-amine; titanium tetrachloride; In dichloromethane; at 0 - 5 ℃; for 0.5h;

DOI:10.1016/S0040-4039(99)00682-6

Reference yield: 62.0%

2-bromo-2-methyl-1-phenyl-propan-1-one (10409-54-8) + isobutyraldehyde (78-84-2) → 3-hydroxy-2,2,4-trimethyl-1-phenylpentan-1-one (96863-69-3)

Guidance literature:

With water; zinc; In diethyl ether;

DOI:10.1007/BF00767103

upstream raw materials:

2-bromo-2-methyl-1-phenyl-propan-1-one

isobutyraldehyde

phenyl isopropyl ketone

Downstream raw materials:

2,2,4-trimethyl-1-phenylpentane-1,3-dione

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