(Z)-3-(2-chlorophenyl)-2-phenylprop-2-enoic acid

Base Information

• Chemical Name: (Z)-3-(2-chlorophenyl)-2-phenylprop-2-enoic acid
• CAS No.: 7514-02-5
• Molecular Formula: C₁₅H₁₁ClO₂
• Molecular Weight: 258.704
• NSC Number: 407584
• DSSTox Substance ID: DTXSID20355584
• Wikidata: Q82134578
• ChEMBL ID: CHEMBL2237324

Synonyms:MLS003171614;7514-02-5;NSC407584;CHEMBL2237324;DTXSID20355584;AKOS005923147;NSC-407584

Chemical Property of (Z)-3-(2-chlorophenyl)-2-phenylprop-2-enoic acid

Chemical Property:

• Vapor Pressure: 4.34E-06mmHg at 25°C
• Boiling Point: 368.8°Cat760mmHg
• Flash Point: 176.8°C
• Density: 1.299g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 258.0447573
• Heavy Atom Count: 18
• Complexity: 319

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=CC2=CC=CC=C2Cl)C(=O)O
• Isomeric SMILES: C1=CC=C(C=C1)/C(=C/C2=CC=CC=C2Cl)/C(=O)O

Technology Process of (Z)-3-(2-chlorophenyl)-2-phenylprop-2-enoic acid

There total 6 articles about (Z)-3-(2-chlorophenyl)-2-phenylprop-2-enoic acid 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: 33.0%

phenylacetic acid (103-82-2) + 2-chloro-benzaldehyde (89-98-5) → (E)-3-(2-chlorophenyl)-2-phenyl-prop-2-enoic acid (7514-02-5,19319-28-9,728-50-7)

Guidance literature:

phenylacetic acid; 2-chloro-benzaldehyde; With acetic anhydride; triethylamine; for 12h; Reflux;

With hydrogenchloride; In water;

DOI:10.1007/s00044-010-9484-1

Reference yield:

2-chloro-benzaldehyde (89-98-5) + sodium phenylacetate (114-70-5) → (E)-3-(2-chlorophenyl)-2-phenyl-prop-2-enoic acid (7514-02-5,19319-28-9,728-50-7)

Guidance literature:

With acetic anhydride; zinc(II) chloride; at 130 - 150 ℃;

DOI:10.1039/jr9490003172

Reference yield:

<2-Chlor-phenyl>-cyclopropenon (23074-53-5) → (E)-3-(2-chlorophenyl)-2-phenyl-prop-2-enoic acid (7514-02-5,19319-28-9,728-50-7) + trans-α-(2'-chlorophenyl)cinnamic acid (728-04-1)

Guidance literature:

With water; In acetonitrile; at 30 ℃; Kinetics; Alkaline hydrolysis;

DOI:10.1135/cccc19991594

upstream raw materials:

phenylacetic acid

2-chloro-benzaldehyde

sodium phenylacetate

<2-Chlor-phenyl>-cyclopropenon

Downstream raw materials:

(E)-2-chlorostilbene

(2R)-3-(2-chlorophenyl)-2-phenylpropanoic acid

(E)-N,N-diethyl-3-(2-chlorophenyl)-2-(phenyl)-prop-2-enamide

(E)-N-methyl-3-(2-chlorophenyl)-2-(phenyl)-prop-2-enamide

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