(4E)-5-(4-chlorophenyl)penta-1,4-dien-3-one

Base Information

• Chemical Name: (4E)-5-(4-chlorophenyl)penta-1,4-dien-3-one
• CAS No.: 1613309-12-8
• Molecular Formula: C₁₁H₉ClO
• Molecular Weight: 192.645
• European Community (EC) Number: 817-362-8
• Mol file: 1613309-12-8.mol

Synonyms:1613309-12-8;(4E)-5-(4-chlorophenyl)penta-1,4-dien-3-one;(4E)-5-(4-chlorophenyl)penta-1,4-dien-3-one, E;(1E)-1-(4-chlorophenyl)penta-1,4-dien-3-one;AKOS015968678;(E)-1-(4-chlorophenyl)penta-1,4-dien-3-one;EN300-1425594;(4E)-5-(4-chlorophenyl)penta-1,4-dien-3-one,E

Chemical Property of (4E)-5-(4-chlorophenyl)penta-1,4-dien-3-one

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 192.0341926
• Heavy Atom Count: 13
• Complexity: 212

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of (4E)-5-(4-chlorophenyl)penta-1,4-dien-3-one

There total 1 articles about (4E)-5-(4-chlorophenyl)penta-1,4-dien-3-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:

(E)-1-(4-chlorophenyl)penta-1,4-dien-3-ol → E-1-(4-Chlorophenyl)penta-1,4-dien-3-one (1613309-12-8)

Guidance literature:

With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In dimethyl sulfoxide; at 20 ℃; Inert atmosphere;

DOI:10.1002/adsc.201301070

Reference yield: 88.0%

2-(1-Methyl-2-oxo-1,2-dihydro-indol-3-ylidene)-malononitrile (39081-26-0) + E-1-(4-Chlorophenyl)penta-1,4-dien-3-one (1613309-12-8) → C34H25Cl2N3O3

Guidance literature:

With C₃₄H₃₀NOP; In toluene; at 0 ℃; for 24h; stereoselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.0c02519

Reference yield: 84.0%

2-(1-Methyl-2-oxo-1,2-dihydro-indol-3-ylidene)-malononitrile (39081-26-0) + E-1-(4-Chlorophenyl)penta-1,4-dien-3-one (1613309-12-8) → C34H25Cl2N3O3 (1613308-86-3)

Guidance literature:

With C₃₆H₃₁O₅P; In toluene; at 20 ℃; for 12h; enantioselective reaction; Inert atmosphere;

DOI:10.1002/adsc.201301070

Downstream raw materials:

C₃₄H₂₅Cl₂N₃O₃