1-(4-Methylphenyl)-1-phenylpropan-2-one

Base Information

• Chemical Name: 1-(4-Methylphenyl)-1-phenylpropan-2-one
• CAS No.: 23417-40-5
• Molecular Formula: C16H16O
• Molecular Weight: 224.302
• DSSTox Substance ID: DTXSID90395452
• Nikkaji Number: J784.542A
• Mol file: 23417-40-5.mol

Synonyms:1-(4-methylphenyl)-1-phenylpropan-2-one;23417-40-5;SCHEMBL11641774;DTXSID90395452;1-(4-Methylphenyl)-1-phenyl-2-propanone

Chemical Property of 1-(4-Methylphenyl)-1-phenylpropan-2-one

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 224.120115130
• Heavy Atom Count: 17
• Complexity: 244

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(4-Methylphenyl)-1-phenylpropan-2-one

There total 3 articles about 1-(4-Methylphenyl)-1-phenylpropan-2-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: 59.0%

1-Phenylprop-1-yne (673-32-5) + p-tolyl triflate (29540-83-8) → 1-(4-methylphenyl)-1-phenyl-2-propanone (23417-40-5) + 1-phenyl-2-p-tolylpropan-1-one (107271-15-8)

Guidance literature:

1-Phenylprop-1-yne; p-tolyl triflate; With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; N-methyl-α-isopropylbenzylamine; C₆₀H₆₆FeN₂P₂; N-ethyl-N,N-diisopropylamine; In 1,4-dioxane; at 80 ℃; for 72h; Inert atmosphere; Glovebox; Sealed tube; Molecular sieve;

With hydrogenchloride; In tetrahydrofuran; 1,4-dioxane; water; regioselective reaction; Inert atmosphere; Glovebox; Sealed tube; Molecular sieve;

DOI:10.1002/anie.201804955

Reference yield:

p-Tolylaceton (2096-86-8) + triphenylaluminium (841-76-9) → 1-(4-methylphenyl)-1-phenyl-2-propanone (23417-40-5)

Guidance literature:

With isoxazolidine catalyst; In dichloromethane; at 0 ℃; Inert atmosphere;

DOI:10.1039/c8ob02480d

Reference yield:

→ 1-(4-methylphenyl)-1-phenyl-2-propanone (23417-40-5)

Guidance literature:

(+-)-erythro-1-Amino-1-phenyl-2-p-tolyl-propanol-(2), Raumtemp., HNO2-Umlagerung;

upstream raw materials:

1-Phenylprop-1-yne

p-tolyl triflate

p-Tolylaceton

triphenylaluminium

Downstream raw materials:

1-phenyl-4-piperidino-1-p-tolyl-butan-2-one; hydrochloride

1-methoxy-1-phenyl-1-p-tolyl-acetone

3-(N-Benzyl-N-methylamino)-1-phenyl-1-p-tolyl-propan-2-ol

1-phenyl-1-p-tolyl-allyl alcohol

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