1-(4-Methoxyphenyl)-3-phenylpropan-1-one

Base Information

• Chemical Name: 1-(4-Methoxyphenyl)-3-phenylpropan-1-one
• CAS No.: 5739-38-8
• Molecular Formula: C16H16O2
• Molecular Weight: 240.302
• Hs Code.: 2914509090
• European Community (EC) Number: 684-361-5
• NSC Number: 57613
• DSSTox Substance ID: DTXSID40288789
• Nikkaji Number: J456.432D
• Wikidata: Q82025881
• ChEMBL ID: CHEMBL1540387
• Mol file: 5739-38-8.mol

Synonyms:5739-38-8;1-(4-methoxyphenyl)-3-phenylpropan-1-one;4'-METHOXY-3-PHENYLPROPIOPHENONE;1-(4-methoxy-phenyl)-3-phenyl-propan-1-one;MFCD00025818;1-(4-methoxyphenyl)-3-phenyl-1-propanone;NSC57613;MLS001195077;4-Methoxyphenylphenethyl ketone;SCHEMBL1304210;CHEMBL1540387;DTXSID40288789;HMS2868M09;NSC 57613;NSC-57613;AKOS001586616;SMR000554462;SR-01000390067;SR-01000390067-1

Chemical Property of 1-(4-Methoxyphenyl)-3-phenylpropan-1-one

Chemical Property:

• Vapor Pressure: 2.3E-06mmHg at 25°C
• Boiling Point: 392.4°Cat760mmHg
• Flash Point: 175.3°C
• PSA: 26.30000
• Density: 1.081g/cm³
• LogP: 3.51070
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 240.115029749
• Heavy Atom Count: 18
• Complexity: 248

Purity/Quality:

99% ^*data from raw suppliers

4'-METHOXY-3-PHENYLPROPIOPHENONE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)CCC2=CC=CC=C2

Technology Process of 1-(4-Methoxyphenyl)-3-phenylpropan-1-one

There total 89 articles about 1-(4-Methoxyphenyl)-3-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: 100.0%

trans-4'-methoxychalcone (22966-19-4) → 1-(4-methoxyphenyl)-3-phenylpropan-1-one (5739-38-8)

Guidance literature:

With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; silica gel; In benzene; at 70 ℃; for 18h;

DOI:10.1246/bcsj.60.4019

Reference yield: 99.0%

rac-1-(4-methoxyphenyl)-ethanol (3319-15-1) + benzyl alcohol (100-51-6,185532-71-2) → 1-(4-methoxyphenyl)-3-phenylpropan-1-one (5739-38-8)

Guidance literature:

With sodium sulfate; potassium hydroxide; In toluene; at 150 ℃; for 16h; chemoselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1002/cssc.201901728

Reference yield: 98.0%

1-(4-methoxyphenyl)ethanone (100-06-1) + benzyl alcohol (100-51-6,185532-71-2) → 1-(4-methoxyphenyl)-3-phenylpropan-1-one (5739-38-8)

Guidance literature:

With C₃₀H₃₀ClIrN₄; potassium hydroxide; In toluene; at 130 ℃; for 2h;

DOI:10.1039/d0dt02937h

upstream raw materials:

methoxybenzene

hydrocinnamic acid chloride

3-Phenylpropionic acid

1-(4-hydroxyphenyl)-3-phenylpropan-1-one

Downstream raw materials:

1-(4-hydroxyphenyl)-3-phenylpropan-1-one

(±)4-methoxyphenyl 2-methyl-3-phenylpropanoate

Refernces

• 1、 Wu, Di,Wang, Yubin,Li, Min,Shi, Lei,Liu, Jichang,Liu, Ning. "Nickel-catalyzed α-alkylation of ketones with benzyl alcohols". . . Retrieved 2021/11/04.
• 2、 Bains, Amreen K,Biswas, Ayanangshu,Adhikari, Debashis. "Nickel-Catalyzed Selective Synthesis of α-Alkylated Ketones via Dehydrogenative Cross-Coupling of Primary and Secondary Alcohols". supporting information. p. 47 - 52. Retrieved 2021/10/14.