2-Hydroxy-4-methylvalerophenone

Base Information

• Chemical Name: 2-Hydroxy-4-methylvalerophenone
• CAS No.: 33809-52-8
• Molecular Formula: C12H16 O2
• Molecular Weight: 192.258
• European Community (EC) Number: 251-683-9
• Nikkaji Number: J308.542B
• Mol file: 33809-52-8.mol

Synonyms:2-Hydroxy-4-methylvalerophenone;33809-52-8;2-hydroxy-4-methyl-1-phenylpentan-1-one;SCHEMBL10345706;alpha-Hydroxy-gamma-methylvalerophenone;W-110836

Chemical Property of 2-Hydroxy-4-methylvalerophenone

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Boiling Point: 295.9°Cat760mmHg
• Flash Point: 124.7°C
• PSA: 37.30000
• Density: 1.038g/cm³
• LogP: 2.27630
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 192.115029749
• Heavy Atom Count: 14
• Complexity: 181

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Hydroxy-4-methylvalerophenone

There total 4 articles about 2-Hydroxy-4-methylvalerophenone 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: 83.0%

3-methyl-1-(2-phenyl-1,3-dithian-2-yl)butan-1-ol (1333394-53-8) → 2-hydroxy-4-methyl-1-phenylpentan-1-one (33809-52-8)

Guidance literature:

With boron trifluoride diethyl etherate; mercury(II) oxide; In tetrahydrofuran; water; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.tet.2011.07.030

Reference yield:

2-Phenyl-[1,3]dithiane (5425-44-5) → 2-hydroxy-4-methyl-1-phenylpentan-1-one (33809-52-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: n-butyllithium / tetrahydrofuran / 1 h / -78 °C / Inert atmosphere

1.2: -78 - 20 °C

2.1: boron trifluoride diethyl etherate; mercury(II) oxide / tetrahydrofuran; water / 0 - 20 °C / Inert atmosphere

With n-butyllithium; boron trifluoride diethyl etherate; mercury(II) oxide; In tetrahydrofuran; water;

DOI:10.1016/j.tet.2011.07.030

Reference yield:

benzaldehyde (100-52-7) → 2-hydroxy-4-methyl-1-phenylpentan-1-one (33809-52-8)

Guidance literature:

Multi-step reaction with 3 steps

1.1: cobalt(II) chloride / acetonitrile

2.1: n-butyllithium / tetrahydrofuran / 1 h / -78 °C / Inert atmosphere

2.2: -78 - 20 °C

3.1: boron trifluoride diethyl etherate; mercury(II) oxide / tetrahydrofuran; water / 0 - 20 °C / Inert atmosphere

With n-butyllithium; boron trifluoride diethyl etherate; cobalt(II) chloride; mercury(II) oxide; In tetrahydrofuran; water; acetonitrile;

DOI:10.1016/j.tet.2011.07.030

upstream raw materials:

3-methyl-1-(2-phenyl-1,3-dithian-2-yl)butan-1-ol

2-Phenyl-[1,3]dithiane

benzaldehyde

Downstream raw materials:

(S)-4-methyl-1-oxo-1-phenylpentan-2-yl butyrate

Refernces