2,4-Pentadienoic acid, 5-(4-chlorophenyl)-3-methyl-, (E,E)-

Base Information

• Chemical Name: 2,4-Pentadienoic acid, 5-(4-chlorophenyl)-3-methyl-, (E,E)-
• CAS No.: 64003-74-3
• Molecular Formula: C12H11ClO2
• Molecular Weight: 222.671
• DSSTox Substance ID: DTXSID70385997
• Mol file: 64003-74-3.mol

Synonyms:64003-74-3;2,4-Pentadienoic acid, 5-(4-chlorophenyl)-3-methyl-, (E,E)-;DTXSID70385997

Chemical Property of 2,4-Pentadienoic acid, 5-(4-chlorophenyl)-3-methyl-, (E,E)-

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 222.0447573
• Heavy Atom Count: 15
• Complexity: 273

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4-Pentadienoic acid, 5-(4-chlorophenyl)-3-methyl-, (E,E)-

There total 5 articles about 2,4-Pentadienoic acid, 5-(4-chlorophenyl)-3-methyl-, (E,E)- 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%

2(E),4(E)-5-(p-Chlorophenyl)-3-methyl-2,4-pentadienal (77144-24-2) → 2(E),4(E)-5-(p-Chlorophenyl)-3-methyl-2,4-pentadienoic acid (64003-74-3)

Guidance literature:

With sodium hydroxide; silver nitrate; In ethanol; water; for 5h;

DOI:10.1055/s-1980-29219

Reference yield:

4-(p-Chlorophenyl)-2-hydroxy-2-methyl-3-butene (77144-21-9) → 2(E),4(E)-5-(p-Chlorophenyl)-3-methyl-2,4-pentadienoic acid (64003-74-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / POCl₃ / 4.5 h / 1.) 0 deg C -> 80 deg C, 1 h; 2.) boiling water bath, 3.5 h

2: 99 percent / AgNO₃, NaOH / ethanol; H₂O / 5 h

With sodium hydroxide; silver nitrate; trichlorophosphate; In ethanol; water;

DOI:10.1055/s-1980-29219

Reference yield:

(2E,4E)-5-(4-Chloro-phenyl)-3-methyl-penta-2,4-dienoic acid ethyl ester (64003-69-6) → 2(E),4(E)-5-(p-Chlorophenyl)-3-methyl-2,4-pentadienoic acid (64003-74-3)

Guidance literature:

With sodium hydroxide;

DOI:10.1016/S0031-9422(00)94349-8

upstream raw materials:

(2E,4E)-5-(4-Chloro-phenyl)-3-methyl-penta-2,4-dienoic acid ethyl ester

2(E),4(E)-5-(p-Chlorophenyl)-3-methyl-2,4-pentadienal

4-(p-Chlorophenyl)-2-hydroxy-2-methyl-3-butene

(3E)-4-(4-chlorophenyl)-3-buten-2-one