2-Pentenoic acid, 5-(4-chlorophenyl)-3-phenyl-, (2E)-

Base Information

• Chemical Name: 2-Pentenoic acid, 5-(4-chlorophenyl)-3-phenyl-, (2E)-
• CAS No.: 1180676-33-8
• Molecular Formula: C17H15ClO2
• Molecular Weight: 286.7528
• Mol file: 1180676-33-8.mol

Synonyms:2-Pentenoic acid, 5-(4-chlorophenyl)-3-phenyl-, (2E)-;PS47

Chemical Property of 2-Pentenoic acid, 5-(4-chlorophenyl)-3-phenyl-, (2E)-

Chemical Property:

• Melting Point: 117-118 °C
• Boiling Point: 444.1±24.0 °C(Predicted)
• PKA: 4.55±0.10(Predicted)
• PSA: 37.30000
• Density: 1.225±0.06 g/cm3(Predicted)
• LogP: 4.44080

Purity/Quality:

99%+, ^*data from raw suppliers

(E)-5-(4-Chlorophenyl)-3-phenylpent-2-enoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Pentenoic acid, 5-(4-chlorophenyl)-3-phenyl-, (2E)-

There total 2 articles about 2-Pentenoic acid, 5-(4-chlorophenyl)-3-phenyl-, (2E)- 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: 72.0%

ethyl 5-(4-chlorophenyl)-3-phenylpent-2-enoate (1180676-61-2) → PS 47 (1180676-33-8)

Guidance literature:

ethyl 5-(4-chlorophenyl)-3-phenylpent-2-enoate; With sodium hydroxide; In ethanol; water; for 4h; Reflux;

With hydrogenchloride; In ethanol; water; pH=2;

DOI:10.1021/jm9001499

Reference yield:

3-(4-chlorophenyl)-1-phenylprop-2-en-1-one (956-04-7) → PS 47 (1180676-33-8)

Guidance literature:

Multi-step reaction with 3 steps

1.1: diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate / toluene / 17 h / 70 °C / Darkness

2.1: sodium hydride / 1,2-dimethoxyethane; mineral oil / 1 h / 20 °C / Inert atmosphere

2.2: 4 h / 80 °C

3.1: sodium hydroxide / ethanol / 4 h / 20 °C

3.2: pH 2

With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; sodium hydride; sodium hydroxide; In 1,2-dimethoxyethane; ethanol; toluene; mineral oil;

upstream raw materials:

ethyl 5-(4-chlorophenyl)-3-phenylpent-2-enoate

3-(4-chlorophenyl)-1-phenylprop-2-en-1-one

Refernces

• 1、 Stroba, Adriana,Schaeffer, Francis,Hindie, Valerie,Lopez-Garcia, Laura,Adrian, Iris,Fr?hner, Wolfgang,Hartmann, Rolf W.,Biondi, Ricardo M.,Engel, Matthias. "3,5-Diphenylpent-2-enoic acids as allosteric activators of the protein kinase PDK1: Structure-activity relationships and thermodynamic characterization of binding as paradigms for PIF-binding pocket-targeting compounds". experimental part. p. 4683 - 4693. Retrieved 2010/02/28.