2-Chlorocrotonic acid

Base Information

• Chemical Name: 2-Chlorocrotonic acid
• CAS No.: 22038-56-8
• Molecular Formula: C4H5 Cl O2
• Molecular Weight: 120.535
• NSC Number: 227867,1188
• UNII: 6V7VW4N5JE
• DSSTox Substance ID: DTXSID601030977
• Nikkaji Number: J135.984C
• Mol file: 22038-56-8.mol

Synonyms:2-Chlorocrotonic acid;(E)-2-chlorobut-2-enoic acid;2-CHLORO-2-BUTENOIC ACID;600-13-5;22038-56-8;(E)-2-Chloro-2-butenoic acid;NSC 1188;NSC-1188;a-Chlorcrotonsaure;NSC1188;Crotonic acid, 2-chloro-;6V7VW4N5JE;2-Butenoic acid, 2-chloro-;SCHEMBL491479;DTXSID601030977;I+/--Chloro-trans-2-butenoic acid;NSC227867;NSC-227867

Chemical Property of 2-Chlorocrotonic acid

Chemical Property:

• Boiling Point: 213.1°Cat760mmHg
• Flash Point: 82.7°C
• Density: 1.282g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 119.9978071
• Heavy Atom Count: 7
• Complexity: 106

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chlorocrotonic acid

There total 11 articles about 2-Chlorocrotonic 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:

(Z)-ethyl 2-chlorobut-2-enoate (77825-54-8) → 2-chloro-crotonic acid (22038-56-8,600-13-5)

Guidance literature:

With potassium hydroxide; In 1,4-dioxane; water; for 15h; Yield given; Heating;

DOI:10.1002/hlca.19820650203

Reference yield:

→ 2-chloro-crotonic acid (22038-56-8,600-13-5)

Guidance literature:

With sodium hydroxide;

Reference yield:

2,3-Dichlorobutanoic acid (600-32-8) → 2-chloro-crotonic acid (22038-56-8,600-13-5)

Guidance literature:

With sodium hydroxide;

DOI:10.1248/cpb.14.561

upstream raw materials:

tetrachloromethane

2,3-dichloro-butyric acid amide

Methyl 2,3-dichlorobutanoate

2,3-dichlorobutanenitrile

Downstream raw materials:

(Z)-2-Chloro-but-2-enoic acid

ethyl-2-chlorocrotonate

(E)-but-2-enoic acid

2,2,3-trichloro-butyric acid

Refernces

• 1、 Ito. "Synthesis of antibiotics. I. Synthesis of N-substituted compounds of monochloroacylamide and their antitrichophyton effect.". . p. 561 - 566. Retrieved 2007/10/04.