(2E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one

Base Information

• Chemical Name: (2E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one
• CAS No.: 16619-29-7
• Molecular Formula: C₁₆H₁₄O
• Molecular Weight: 222.287
• Hs Code.: 2914399090
• European Community (EC) Number: 653-579-2
• Nikkaji Number: J1.687.034J,J908.748F
• ChEMBL ID: CHEMBL2430043
• Mol file: 16619-29-7.mol

Synonyms:16619-29-7;(2E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one;1-Phenyl-3-(m-tolyl)prop-2-en-1-one;CHEMBL2430043;(E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one;3-(3-METHYLPHENYL)-1-PHENYL-PROP-2-EN-1-ONE;3-Methylchalcone;(E)-3-Methylchalcone;trans-3-METHYL CHALCONE;22966-04-7;TRANS-3-METHYLCHALCONE;BDBM50440655;MFCD00025968;AKOS008685143;SS-4629;(E)-1-phenyl-3-m-tolylprop-2-en-1-one

Chemical Property of (2E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one

Chemical Property:

• Vapor Pressure: 2.02E-05mmHg at 25°C
• Melting Point: 66 °C
• Boiling Point: 361.8°Cat760mmHg
• Flash Point: 156.8°C
• PSA: 17.07000
• Density: 1.078g/cm³
• LogP: 3.89110
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 222.104465066
• Heavy Atom Count: 17
• Complexity: 273

Purity/Quality:

99% ^*data from raw suppliers

(2E)-3-(3-Methylphenyl)-1-phenylprop-2-en-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (2E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one

There total 22 articles about (2E)-3-(3-methylphenyl)-1-phenylprop-2-en-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: 95.0%

3-methylbenzyl alcohol (587-03-1) + acetophenone (98-86-2) → phenyl m-methylstyryl ketone (16619-29-7,22966-04-7)

Guidance literature:

With oxygen; caesium carbonate; In acetonitrile; at 20 ℃; for 24h; chemoselective reaction;

DOI:10.1016/j.mcat.2021.111516

Reference yield: 91.0%

acetophenone (98-86-2) + m-tolyl aldehyde (620-23-5) → 3-(3-methylphenyl)-1-phenyl-2-propen-1-one (16619-29-7,22966-04-7)

Guidance literature:

With sodium hydroxide; In ethanol; water; for 4h; Cooling with ice;

DOI:10.1002/bkcs.11749

Reference yield: 90.0%

1-Phenylethanol (98-85-1,13323-81-4) + 3-methylbenzyl alcohol (587-03-1) → 3-(3-methylphenyl)-1-phenyl-2-propen-1-one (16619-29-7,22966-04-7)

Guidance literature:

With lithium hydroxide monohydrate; oxygen; sodium hydroxide; In tert-butyl alcohol; at 70 ℃; for 12h;

upstream raw materials:

acetophenone

m-tolyl aldehyde

1-Phenylethanol

3-methylbenzyl alcohol

Downstream raw materials:

(3-methylphenyl)acetaldehyde

benzoic acid

1-phenyl-3-(mtolyl)prop-2-en-1-ol

(E)-1-phenyl-3-(m-tolyl)prop-2-en-1-ol

Refernces

• 1、 Zhu, Guanxin,Duan, Zheng-Chao,Zhu, Haiyan,Ye, Dongdong,Wang, Dawei. "Selective C-C bonds formation, N-alkylation and benzo[d]imidazoles synthesis by a recyclable zinc composite". supporting information. p. 266 - 270. Retrieved 2021/08/06.
• 2、 Zhu, Guanxin,Duan, Zheng-Chao,Zhu, Haiyan,Qi, Minghui,Wang, Dawei. "Iridium and copper supported on silicon dioxide as chemoselective catalysts for dehydrogenation and borrowing hydrogen reactions". . . Retrieved 2021/04/02.