1-(2-Hydroxy-3,5-dimethylphenyl)-2-phenylethan-1-one

Base Information

• Chemical Name: 1-(2-Hydroxy-3,5-dimethylphenyl)-2-phenylethan-1-one
• CAS No.: 93433-76-2
• Molecular Formula: C16H16O2
• Molecular Weight: 240.302
• DSSTox Substance ID: DTXSID30554541
• Wikidata: Q82435589
• Mol file: 93433-76-2.mol

Synonyms:93433-76-2;1-(2-hydroxy-3,5-dimethylphenyl)-2-phenylethanone;SCHEMBL9579370;1-(2-Hydroxy-3,5-dimethylphenyl)-2-phenylethan-1-one;DTXSID30554541;MEYUEKFYIOVPFT-UHFFFAOYSA-N;4,6-dimethyl-2-(2-phenylacetyl)phenol;4,6-dimethyl-2-(2-phenylacetyl)-phenol

Chemical Property of 1-(2-Hydroxy-3,5-dimethylphenyl)-2-phenylethan-1-one

Chemical Property:

• Boiling Point: 201-203 °C(Press: 10 Torr)
• PSA: 37.30000
• Density: 1.130±0.06 g/cm3(Predicted)
• LogP: 3.43440
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 240.115029749
• Heavy Atom Count: 18
• Complexity: 281

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C(=O)CC2=CC=CC=C2)O)C

Technology Process of 1-(2-Hydroxy-3,5-dimethylphenyl)-2-phenylethan-1-one

There total 6 articles about 1-(2-Hydroxy-3,5-dimethylphenyl)-2-phenylethan-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: 72.0%

2,4-Xylenol (105-67-9) + phenylacetyl chloride (103-80-0) → 1-(2-hydroxy-3,5-dimethylphenyl)-2-phenylethan-1-one (93433-76-2)

Guidance literature:

With aluminium trichloride; at 100 ℃; for 2h;

DOI:10.1021/jm00111a014

Reference yield:

phenyl-acetic acid-(2,4-dimethyl-phenyl ester) (93433-73-9) → 1-(2-hydroxy-3,5-dimethylphenyl)-2-phenylethan-1-one (93433-76-2)

Guidance literature:

With aluminium trichloride; at 140 - 145 ℃;

DOI:10.1007/BF00901317

Reference yield:

phenylacetyl chloride (103-80-0) → 1-(2-hydroxy-3,5-dimethylphenyl)-2-phenylethan-1-one (93433-76-2)

Guidance literature:

Multi-step reaction with 2 steps

1: Py

2: AlCl₃ / 140 - 145 °C

With pyridine; aluminium trichloride;

DOI:10.1007/BF00901317

upstream raw materials:

2,4-Xylenol

phenylacetyl chloride

phenyl-acetic acid-(2,4-dimethyl-phenyl ester)

phenylacetic acid

Downstream raw materials:

2.4-Dibenzyl-6-phenaethyl-phenol

C₁₇H₁₅F₃O₄S

C₁₇H₁₄O₂

α-styryl 2-(4,6-dimethyl-1-hydroxyphenyl)ketone