2-Propenoic acid, 3-chloro-3-phenyl-, (Z)-

Base Information

• Chemical Name: 2-Propenoic acid, 3-chloro-3-phenyl-, (Z)-
• CAS No.: 18819-66-4
• Molecular Formula: C9H7 Cl O2
• Molecular Weight: 182.606
• Hs Code.: 2916399090
• NSC Number: 193765,174014
• Nikkaji Number: J1.397.155B
• Mol file: 18819-66-4.mol

Synonyms:2-Propenoic acid, 3-chloro-3-phenyl-, (Z)-;(E)-3-chloro-3-phenylprop-2-enoic acid;18819-66-4;Cinnamic acid, .beta.-chloro-, (Z)-;18819-63-1;NSC174014;(E)-beta-Chlorocinnamic acid;SCHEMBL1536420;SYLUOHMELSXJDK-SOFGYWHQSA-N;NSC193765;AKOS026730749;NSC-174014;NSC-193765;(2E)-3-Chloro-3-phenyl-2-propenoic acid #;85311-87-1

Chemical Property of 2-Propenoic acid, 3-chloro-3-phenyl-, (Z)-

Chemical Property:

• Vapor Pressure: 0.00065mmHg at 25°C
• Boiling Point: 296.4°Cat760mmHg
• Flash Point: 133°C
• PSA: 37.30000
• Density: 1.306g/cm³
• LogP: 2.35090
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 182.0134572
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Propenoic acid, 3-chloro-3-phenyl-, (Z)-

There total 20 articles about 2-Propenoic acid, 3-chloro-3-phenyl-, (Z)- 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: 25.0%

1-chloro-4-nitroso-benzene (932-98-9) + (Z)-3-chloro-3-phenyl-2-propenal (33603-87-1) → (Z)-3-chloro-3-phenyl-2-propenoic acid (18819-66-4) + 2-(4-chlorophenyl)-3-phenylisoxazol-5(2H)-one (1326780-59-9)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; 1,3-bis[2,6-diisopropylphenyl]imidazolium chloride; In tetrahydrofuran; at -20 ℃; for 5h; Inert atmosphere;

DOI:10.1055/s-0030-1260037

Reference yield: 8.0%

ethyl 3-oxo-3-phenylpropionate (94-02-0) → (E)-3-chloro-3-phenyl-2-propenoic acid (18819-63-1) + (Z)-3-chloro-3-phenyl-2-propenoic acid (18819-66-4)

Guidance literature:

ethyl 3-oxo-3-phenylpropionate; With phosphorus pentachloride; In benzene; for 1h; Heating;

With water; cooling;

DOI:10.1071/CH06188

Reference yield:

phenylacetylene (536-74-3) → (Z)-3-chloro-3-phenyl-2-propenoic acid (18819-66-4)

Guidance literature:

With oxalyl dichloride; Behandeln des mit Benzol versetzten Reaktionsgemisches mit wss. Natriumcarbonat-Loesung;

DOI:10.1021/ja01254a033

upstream raw materials:

(E)-β-chloro-β-phenylacrolein

(E)-3-chloro-3-phenyl-2-propenoic acid

methyl 3-oxo-3-phenylpropionate

2-chloro-1-methoxycarbonyl-2-phenyl-vinylmercury ⁽¹⁺⁾; chloride

Downstream raw materials:

(E)-3-chloro-3-phenyl-2-propenoic acid

3-Chloro-3-phenylpropenoyl Chloride

ethyl-(Z)-3-chloro-3-phenyl-2-propenoate

(E)-3-phenylacrylic acid