2-Propenoic acid, 2,3-dibromo-, methyl ester, (Z)-

Base Information

• Chemical Name: 2-Propenoic acid, 2,3-dibromo-, methyl ester, (Z)-
• CAS No.: 26631-70-9
• Molecular Formula: C4H4Br2O2
• Molecular Weight: 243.883
• Hs Code.: 2916190090
• European Community (EC) Number: 898-095-4
• Nikkaji Number: J2.904.975K,J88.442A
• Mol file: 26631-70-9.mol

Synonyms:2-Propenoic acid, 2,3-dibromo-, methyl ester, (Z)-;Methyl Z-2,3-Dibromopropenoate;SCHEMBL15338808;CBTTXLCKHFLDPW-IHWYPQMZSA-N;AKOS015915042;Methyl (2Z)-2,3-dibromo-2-propenoate;methyl (2Z)-2,3-dibromoprop-2-enoate;26631-70-9;(Z)-2,3-dibromo-acrylic acid methyl ester;Methyl (2Z)-2,3-dibromo-2-propenoate #;EN300-37447339

Chemical Property of 2-Propenoic acid, 2,3-dibromo-, methyl ester, (Z)-

Chemical Property:

• PSA: 26.30000
• LogP: 1.79060
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 243.85576
• Heavy Atom Count: 8
• Complexity: 119

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(=CBr)Br
• Isomeric SMILES: COC(=O)/C(=C/Br)/Br

Technology Process of 2-Propenoic acid, 2,3-dibromo-, methyl ester, (Z)-

There total 5 articles about 2-Propenoic acid, 2,3-dibromo-, methyl ester, (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: 98.0%

erythro methyl 3-chloro-2,3-dibromopropanoate (89294-78-0,89302-10-3) → cis-2,3-dibromopropenoic acid methyl ester (26631-70-9) + methyl trans-2-bromo-3-chloropropenoate (120782-25-4) + methyl cis-2-bromo-3-chloropropenoate (120782-26-5)

Guidance literature:

With triethylamine; Title compound not separated from byproducts;

DOI:10.1016/S0040-4020(01)91588-1

Reference yield: 90.0%

propynoic acid methyl ester (922-67-8) → cis-2,3-dibromopropenoic acid methyl ester (26631-70-9)

Guidance literature:

With bromine; In various solvent(s); at 70 ℃; for 0.5h;

DOI:10.1002/anie.200602917

Reference yield:

trans-2,3-dibromopropenoic acid methyl ester (77809-06-4) → cis-2,3-dibromopropenoic acid methyl ester (26631-70-9)

Guidance literature:

With bromine; In dichloromethane; at 30 ℃; for 5h;

DOI:10.1246/bcsj.62.4053

upstream raw materials:

propynoic acid methyl ester

erythro methyl 3-chloro-2,3-dibromopropanoate

threo methyl 3-chloro-2,3-dibromopropanoate

trans-2,3-dibromopropenoic acid methyl ester

Downstream raw materials:

methyl (Z)-2-bromo-3-(4-chlorophenyl)-2-propenoate

(Z)-2-Bromo-3-(3,5-dichloro-phenyl)-acrylic acid methyl ester

(Z)-2-Bromo-3-(4-fluoro-phenyl)-acrylic acid methyl ester