3-(4-Methoxyphenyl)-1-(4-methylphenyl)propan-1-one

Base Information

• Chemical Name: 3-(4-Methoxyphenyl)-1-(4-methylphenyl)propan-1-one
• CAS No.: 41865-44-5
• Molecular Formula: C17H18O2
• Molecular Weight: 254.329
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID00542697
• Nikkaji Number: J2.172.041K
• Wikidata: Q82419436
• Mol file: 41865-44-5.mol

Synonyms:3-(4-METHOXYPHENYL)-4'-METHYLPROPIOPHENONE;41865-44-5;3-(4-methoxyphenyl)-1-(4-methylphenyl)propan-1-one;MFCD03843149;3-(4-methoxyphenyl)-1-(4-methylphenyl)-1-propanone;DTXSID00542697;AKOS009347191;3-(4-methoxyphenyl)-1-(p-tolyl)propan-1-one

Chemical Property of 3-(4-Methoxyphenyl)-1-(4-methylphenyl)propan-1-one

Chemical Property:

• Vapor Pressure: 7.15E-07mmHg at 25°C
• Boiling Point: 408.2°C at 760 mmHg
• Flash Point: 179.5°C
• PSA: 26.30000
• Density: 1.066g/cm³
• LogP: 3.81910
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 254.130679813
• Heavy Atom Count: 19
• Complexity: 271

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Methoxyphenyl)-4'-methylpropiophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)CCC2=CC=C(C=C2)OC

Technology Process of 3-(4-Methoxyphenyl)-1-(4-methylphenyl)propan-1-one

There total 16 articles about 3-(4-Methoxyphenyl)-1-(4-methylphenyl)propan-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: 98.0%

para-methylacetophenone (122-00-9) + 4-Methoxybenzyl alcohol (105-13-5) → α,β-dihydro-4-methoxy-4'-methylchalcone (41865-44-5)

Guidance literature:

With bromopentacarbonylmanganese(I); potassium tert-butylate; 1-(pyridin-2-yl)-2-(1-(pyridin-2-yl)ethylidene)hydrazine; In tert-Amyl alcohol; at 140 ℃; for 24h; Inert atmosphere; Schlenk technique;

DOI:10.1002/adsc.201800380

Reference yield: 95.0%

3-(4-methoxyphenyl)-1-p-tolylprop-2-en-1-one (6552-66-5,50990-40-4,102692-51-3) → α,β-dihydro-4-methoxy-4'-methylchalcone (41865-44-5)

Guidance literature:

With borane-ammonia complex; In methanol; water; at 20 ℃; for 3h; chemoselective reaction;

DOI:10.1039/d0nj03104f

Reference yield: 91.0%

1-(p-tolyl)cyclopropan-1-ol (40122-37-0) + 4-methoxyphenylboronic acid (5720-07-0) → α,β-dihydro-4-methoxy-4'-methylchalcone (41865-44-5)

Guidance literature:

With copper diacetate; palladium diacetate; 1,2-bis-(diphenylphosphino)ethane; In water; dimethyl sulfoxide; at 70 ℃; for 2h; chemoselective reaction;

DOI:10.1021/acs.joc.0c00160

upstream raw materials:

(2E)-3-(4-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one

para-methylacetophenone

4-Methoxybenzyl alcohol

methanol

Downstream raw materials:

3-(4-methoxyphenyl)-1-p-tolylprop-2-en-1-one

α-bromo-α,β-dihydro-4-methoxy-4'-methylchalcone

Refernces

• 1、 Singh, Anshu,Maji, Ankur,Joshi, Mayank,Choudhury, Angshuman R.,Ghosh, Kaushik. "Designed pincer ligand supported Co(ii)-based catalysts for dehydrogenative activation of alcohols: Studies onN-alkylation of amines, α-alkylation of ketones and synthesis of quinolines". . p. 8567 - 8587. Retrieved 2021/06/30.
• 2、 Maji, Ankur,Singh, Anshu,Singh, Neetu,Ghosh, Kaushik. "Efficient Organoruthenium Catalysts for α-Alkylation of Ketones and Amide with Alcohols: Synthesis of Quinolines via Hydrogen Borrowing Strategy and their Mechanistic Studies". . p. 3108 - 3125. Retrieved 2020/05/18.