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

Base Information

• Chemical Name: (2E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
• CAS No.: 85502-87-0
• Molecular Formula: C16H13ClO2
• Molecular Weight: 272.731
• European Community (EC) Number: 653-862-0,878-427-4
• NSC Number: 83482
• Nikkaji Number: J149.448A,J314.522K
• Wikidata: Q76304266
• Pharos Ligand ID: PGGY9XZ8UHZA
• Metabolomics Workbench ID: 73670
• ChEMBL ID: CHEMBL374741
• Mol file: 85502-87-0.mol

Synonyms:1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one;6552-63-2;(E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one;85502-87-0;(E)-4'-Chloro-4-methoxychalcone;4'-Chloro-4-methoxychalcone;(2E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one;CHEMBL374741;(E)1-(4-Chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one;1-(4-Chlorophenyl)-3-(4-methoxyphenyl)-2-propen-1-one;NSC83482;4-Methoxy-4'-chlorochalcone;SCHEMBL8987383;KGKFNDADSPFRCJ-NYYWCZLTSA-N;trans-4'-Chloro-4-methoxychalcone;SMSF0003640;BDBM50048545;MFCD00018708;NSC-83482;STK877785;AKOS000432347;CB08783;DS-4870;BIM-0006565.P001;CERIUM(III)CARBONATEHYDRATE/99.9%;C3280;CS-0116753;N10381;A848245;Z46033294;2-Propen-1-one,1-(4-chlorophenyl)-3-(4-methoxyphenyl)-;(2E)-1-(4-Chlorophenyl)-3-(4-methoxyphenyl)-2-propen-1-one;(2E)-1-(4-Chlorophenyl)-3-(4-methoxyphenyl)-2-propen-1-one #

Chemical Property of (2E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

Chemical Property:

• Vapor Pressure: 9.21E-08mmHg at 25°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 272.0604073
• Heavy Atom Count: 19
• Complexity: 311

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (2E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

There total 9 articles about (2E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-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: 99.0%

para-chloroacetophenone (99-91-2) + 4-methoxy-benzaldehyde (123-11-5) → (E)-4'-chloro-4-methoxychalcone (85502-87-0)

Guidance literature:

para-chloroacetophenone; 4-methoxy-benzaldehyde; With potassium hydroxide; In ethanol; water; at 20 ℃; for 12h;

With hydrogenchloride; In ethanol; water; pH=3 - 4;

DOI:10.1016/j.bmc.2009.02.052

Reference yield: 98.0%

→ (E)-4'-chloro-4-methoxychalcone (85502-87-0)

Guidance literature:

With sodium hydroxide; In ethanol;

Reference yield: 94.0%

C16H13ClO3 → (E)-4'-chloro-4-methoxychalcone (85502-87-0)

Guidance literature:

With sodium iodide; tin(ll) chloride; In ethanol; for 0.0833333h; Reflux; Green chemistry;

DOI:10.1055/s-0034-1378821

upstream raw materials:

4-Cyanochlorobenzene

Diethyl methylphosphonate

4-methoxy-benzaldehyde

para-chloroacetophenone

Downstream raw materials:

(2RS,3SR)-2,3-dibromo-1-(4-chloro-phenyl)-3-(4-methoxy-phenyl)-propan-1-one

4-(4-Chloro-phenyl)-2-(4-methoxy-phenyl)-8-methyl-2,3-dihydro-benzo[b][1,4]thiazepine

4-(p-chlorophenyl)-8-fluoro-2-(p-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine

8-Bromo-4-(4-chloro-phenyl)-2-(4-methoxy-phenyl)-2,3-dihydro-benzo[b][1,4]thiazepine