3-(4-Chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one

Base Information

• Chemical Name: 3-(4-Chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
• CAS No.: 82105-36-0
• Molecular Formula: C₁₆H₁₅ClO₂
• Molecular Weight: 274.747
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID70509156
• Nikkaji Number: J271.347K
• Mol file: 82105-36-0.mol

Synonyms:82105-36-0;3-(4-Chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one;3-(4-Chloro-phenyl)-3-hydroxy-2-methyl-1-phenyl-propan-1-one;DTXSID70509156;AKOS015965945;AC-20974

Chemical Property of 3-(4-Chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one

Chemical Property:

• Vapor Pressure: 2.48E-08mmHg at 25°C
• Refractive Index: 1.593
• Boiling Point: 434.8°C at 760 mmHg
• Flash Point: 216.8°C
• PSA: 37.30000
• Density: 1.219g/cm³
• LogP: 3.89240
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 274.0760574
• Heavy Atom Count: 19
• Complexity: 291

Purity/Quality:

98% ^*data from raw suppliers

3-(4-Chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(C1=CC=C(C=C1)Cl)O)C(=O)C2=CC=CC=C2

Technology Process of 3-(4-Chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one

There total 19 articles about 3-(4-Chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-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:

4-chlorobenzaldehyde (104-88-1) + trimethyl[(Z)-(1-phenyl-1-propenyl)oxy]silane (66323-99-7) → 3-hydroxy-2-methyl-1-phenyl-3-(4'-chlorophenyl)-1-propanone (82105-36-0,82105-37-1) + 3-hydroxy-2-methyl-1-phenyl-3-(4'-chlorophenyl)-1-propanone (82105-36-0,82105-37-1)

Guidance literature:

With chiral bis-oxazoline ligand; copper(II) bis(trifluoromethanesulfonate); In ethanol; water; at 0 ℃; for 20h; Yield given; Yields of byproduct given;

DOI:10.1246/cl.1999.71

Reference yield:

4-chlorobenzaldehyde (104-88-1) + trimethyl[(Z)-(1-phenyl-1-propenyl)oxy]silane (66323-99-7) → 3-hydroxy-2-methyl-1-phenyl-3-(4'-chlorophenyl)-1-propanone (82105-36-0,82105-37-1) + 3-hydroxy-2-methyl-1-phenyl-3-(4'-chlorophenyl)-1-propanone (82105-36-0,82105-37-1)

Guidance literature:

With chiral bis-oxazoline ligand; copper(II) bis(trifluoromethanesulfonate); In ethanol; water; at 0 ℃; for 20h; Yield given; Yields of byproduct given;

DOI:10.1246/cl.1999.71

Reference yield:

4-chlorobenzaldehyde (104-88-1) + trimethyl[(Z)-(1-phenyl-1-propenyl)oxy]silane (66323-99-7) → (2S,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one (82105-36-0,82105-37-1) + (2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one (519054-25-2) + (2S,3S)-3-(4-chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one (319921-99-8) + (2R,3S)-3-(4-chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one (82105-36-0,82105-37-1)

Guidance literature:

With 2,6-bis((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)pyridine; zinc trifluoromethanesulfonate; In tetrahydrofuran; ethanol; water; at -25 ℃; for 48h; Title compound not separated from byproducts;

DOI:10.1002/adsc.200404314

upstream raw materials:

4-chlorobenzaldehyde

1-phenyl-propan-1-one

1-phenyl-1-trimethylsiloxypropene

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