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

Base Information

• Chemical Name: 3-Hydroxy-2,4-dimethyl-1-phenylpentan-1-one
• CAS No.: 73739-28-3
• Molecular Formula: C₁₃H₁₈O₂
• Molecular Weight: 206.285
• Hs Code.: 2914400090
• DSSTox Substance ID: DTXSID60513282
• Nikkaji Number: J271.351I
• Mol file: 73739-28-3.mol

Synonyms:73739-28-3;3-hydroxy-2,4-dimethyl-1-phenylpentan-1-one;DTXSID60513282;AKOS015965982;AC-20978

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

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.514
• Boiling Point: 325.417°C at 760 mmHg
• PKA: 14.36±0.20(Predicted)
• Flash Point: 138.148°C
• PSA: 37.30000
• Density: 1.021g/cm³
• LogP: 2.52230
• XLogP3: 2.8
• 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:

99% ^*data from raw suppliers

3-Hydroxy-2,4-dimethyl-1-phenylpentan-1-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 30 articles about 3-Hydroxy-2,4-dimethyl-1-phenylpentan-1-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: 96.0%

2-iodo-1-phenylpropan-1-one (6084-15-7) + isobutyraldehyde (78-84-2) → syn-3-hydroxy-2,4-dimethyl-1-phenylpentan-1-one (73739-37-4,93250-18-1,73739-28-3)

Guidance literature:

With 2,6-dimethylpyridine; 9-bora-bicyclo[3.3.1]nonane; In tetrahydrofuran; at -10 ℃; for 2h;

DOI:10.1246/bcsj.76.813

Reference yield: 95.0%

isobutyraldehyde (78-84-2) + 1-phenyl-propan-1-one (93-55-0) → syn-3-hydroxy-2,4-dimethyl-1-phenylpentan-1-one (73739-37-4,93250-18-1,73739-28-3)

Guidance literature:

With tributyl-amine; titanium tetrachloride; In dichloromethane; at -78 ℃; for 3h;

DOI:10.1016/S0040-4039(97)10320-3

Reference yield:

2-bromo-1-phenyl-1-propanone (2114-00-3) + isobutyraldehyde (78-84-2) → 2,4-dimethyl-3-hydroxy-1-phenyl-1-pentanone (73739-28-3,73739-37-4,93250-18-1) + 3-Hydroxy-2,4-dimethyl-1-phenyl-pentan-1-one (73739-28-3,73739-37-4,93250-18-1) + 1-phenyl-propan-1-one (93-55-0)

Guidance literature:

With water; zinc; for 2h; Yield given. Yields of byproduct given; Ambient temperature;

DOI:10.1039/c39900000505

upstream raw materials:

2-bromo-1-phenyl-1-propanone

isobutyraldehyde

1-phenyl-propan-1-one

trimethyl[(Z)-(1-phenyl-1-propenyl)oxy]silane

Downstream raw materials:

rac-(1R,2R,3S)-1-isopropyl-2-methyl-3-phenylpropane-1,3-diol

(1R*,2R*,3R*)-2,4-Dimethyl-1-phenylpentan-1,3-diol

rac-(1R,2S,3S)-1-isopropyl-2-methyl-3-phenylpropane-1,3-diol

(1R*,2R*,3R*)-2,4-Dimethyl-1-phenylpentan-1,3-diol

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