3-(4-Chlorophenyl)-4'-methoxypropiophenone

Base Information

• Chemical Name: 3-(4-Chlorophenyl)-4'-methoxypropiophenone
• CAS No.: 111302-55-7
• Molecular Formula: C₁₆H₁₅ClO₂
• Molecular Weight: 274.747
• DSSTox Substance ID: DTXSID40426785
• Nikkaji Number: J2.612.197C
• Wikidata: Q82239597
• Mol file: 111302-55-7.mol

Synonyms:3-(4-CHLOROPHENYL)-4'-METHOXYPROPIOPHENONE;111302-55-7;3-(4-chlorophenyl)-1-(4-methoxyphenyl)propan-1-one;3-(4-Chlorophenyl)-4/'-methoxypropiophenone;MFCD03843457;3-(4-chlorophenyl)-1-(4-methoxyphenyl)-1-propanone;SCHEMBL656856;DTXSID40426785;ZBTZYDKQZYEMDA-UHFFFAOYSA-N;AKOS016021859;beta-(4-Chlorophenyl)-4'-methoxypropiophenone;AK-087/42718363;3-(4-chlorophenyl)-1-(4-methoxyphenyl)-propan-1-one

Chemical Property of 3-(4-Chlorophenyl)-4'-methoxypropiophenone

Chemical Property:

• Vapor Pressure: 2.66E-07mmHg at 25°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 274.0760574
• Heavy Atom Count: 19
• Complexity: 277

Purity/Quality:

96% ^*data from raw suppliers

3-(4-chlorophenyl)-4'-methoxypropiophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3-(4-Chlorophenyl)-4'-methoxypropiophenone

There total 14 articles about 3-(4-Chlorophenyl)-4'-methoxypropiophenone 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: 93.0%

4'-methoxy-4-chlorochalcone (6552-68-7,30925-57-6,41564-68-5) → 3-(4-chlorophenyl)-1-(4-methoxyphenyl) propan-1-one (111302-55-7)

Guidance literature:

With ammonium acetate; zinc; In ethanol; at 20 ℃; for 1.25h;

Reference yield: 93.0%

1-(4-methoxyphenyl)cyclopropan-1-ol (15973-65-6) + 4-Chlorophenylboronic acid (1679-18-1) → 3-(4-chlorophenyl)-1-(4-methoxyphenyl) propan-1-one (111302-55-7)

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

Reference yield: 90.0%

para-Chlorobenzyl alcohol (873-76-7) + 1-(4-methoxyphenyl)ethanone (100-06-1) → 3-(4-chlorophenyl)-1-(4-methoxyphenyl) propan-1-one (111302-55-7)

Guidance literature:

With C₃₃H₄₀ClN₄Ru⁽¹⁺⁾*F₆P^(1-); potassium hydroxide; In toluene; at 120 ℃; Reagent/catalyst;

DOI:10.1002/cctc.202000254

upstream raw materials:

methoxybenzene

3-(4-chlorophenyl)propanoyl chloride

4-chloro-4'-methoxy-chalcone

4'-methoxy-4-chlorochalcone

Refernces

• 1、 Lawal, Nasir S.,Ibrahim, Halliru,Bala, Muhammad D.. "Cu(I) mediated hydrogen borrowing strategy for the α-alkylation of aryl ketones with aryl alcohols". . p. 275 - 285. Retrieved 2021/02/09.
• 2、 Tao, Rong,Yang, Yike,Zhu, Haiyan,Hu, Xinyu,Wang, Dawei. "Ligand-tuned cobalt-containing coordination polymers and applications in water". supporting information. p. 8452 - 8461. Retrieved 2020/12/29.