Methyl trans-3-chloropropenoate

Base Information

• Chemical Name: Methyl trans-3-chloropropenoate
• CAS No.: 5135-18-2
• Molecular Formula: C4H5ClO2
• Molecular Weight: 120.5343
• Nikkaji Number: J1.333.525G,J371.698H
• Mol file: 5135-18-2.mol

Synonyms:5135-18-2;Methyl trans-3-chloropropenoate;Methyl (2E)-3-chloroacrylate;methyl (E)-3-chloroprop-2-enoate;trans-Methyl 3-chloro-2-propenoate;methyl (E)-3-chloroacrylate;3-Chloroacrylic acid methyl ester;ZLDNFLVIPPOXQL-NSCUHMNNSA-N;trans Methyl 3-chloro-2-propenoate;Methyl (2E)-3-chloro-2-propenoate;Methyl (2E)-3-chloro-2-propenoate #;trans-3-chloro-acrylic acid methylester;(E)-3-Chloropropenoic acid methyl ester

Chemical Property of Methyl trans-3-chloropropenoate

Chemical Property:

• Vapor Pressure: 12.9mmHg at 25°C
• Boiling Point: 124.1°Cat760mmHg
• Flash Point: 39.3°C
• PSA: 26.30000
• Density: 1.169g/cm³
• LogP: 0.91190
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 119.9978071
• Heavy Atom Count: 7
• Complexity: 87.7

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C=CCl
• Isomeric SMILES: COC(=O)/C=C/Cl

Technology Process of Methyl trans-3-chloropropenoate

There total 3 articles about Methyl trans-3-chloropropenoate 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:

methanol (67-56-1) + (E)-3-chloroacrylic acid (2345-61-1) → methyl-trans-3-chloroacrylate (5135-18-2)

Guidance literature:

With boron trifluoride diethyl etherate;

DOI:10.1021/jo01341a002

Reference yield:

propynoic acid methyl ester (922-67-8) → methyl-trans-3-chloroacrylate (5135-18-2) + methyl cis-2-chloroacrylate (3510-44-9)

Guidance literature:

With hydrogenchloride; In methanol; Title compound not separated from byproducts;

Reference yield:

→ methyl-trans-3-chloroacrylate (5135-18-2)

Guidance literature:

Propinsaeure, HCl, Me.;

upstream raw materials:

methanol

(E)-3-chloroacrylic acid

propynoic acid methyl ester

Downstream raw materials:

N(P(C₆H₅)3)2⁽¹⁺⁾*Fe(CO)3(OCC(CH₂COOCH₃)CH₂)^(1-)=[N(P(C₆H₅)3)2][Fe(CO)3(OCC(CH₂COOCH₃)CH₂)]

5-methoxycarbonylpenta-2,4-dienylidenetriphenylphosphorane

(E)-1-methyl-2-oxocyclohexane-2-propenoic acid methyl ester

methyl 2,3,3-trichloropropanoate

Refernces

• 1、 Witiak,Sinha. "Pyrazole product ratio analysis of the reaction of diazomethane with methyl cis- and trans-beta-chloroacrylates.". . p. 501 - 503. Retrieved 2007/10/05.