(E)-2,3-Dibromoacrylic acid ethyl ester

Base Information

• Chemical Name: (E)-2,3-Dibromoacrylic acid ethyl ester
• CAS No.: 26631-69-6
• Molecular Formula: C5H6 Br2 O2
• Molecular Weight: 257.909
• Hs Code.: 2916190090
• European Community (EC) Number: 808-965-7
• Nikkaji Number: J88.441C
• Mol file: 26631-69-6.mol

Synonyms:26631-69-6;SCHEMBL15591527;(E)-2,3-Dibromoacrylic acid ethyl ester

Chemical Property of (E)-2,3-Dibromoacrylic acid ethyl ester

Chemical Property:

• Refractive Index: n20/D 1.523(lit.)
• Boiling Point: 95 °C2 mm Hg(lit.)
• Flash Point: >230 °F
• PSA: 26.30000
• Density: 1.837 g/mL at 25 °C(lit.)
• LogP: 2.18070
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 257.87141
• Heavy Atom Count: 9
• Complexity: 131

Purity/Quality:

99% ^*data from raw suppliers

ETHYL TRANS-2 3-DIBROMOACRYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xn
• Statements: 34-22
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (E)-2,3-Dibromoacrylic acid ethyl ester

There total 4 articles about (E)-2,3-Dibromoacrylic acid ethyl ester 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: 97.0%

propynoic acid ethyl ester (623-47-2) → ethyl (E)-2,3-dibromopropenoate (26631-69-6)

Guidance literature:

With pyridinium hydrobromide perbromide; In dichloromethane; at 23 ℃; for 40h;

DOI:10.1016/S0040-4039(01)93407-0

Reference yield:

propynoic acid ethyl ester (623-47-2) → ethyl (E)-2,3-dibromopropenoate (26631-69-6)

Guidance literature:

In tetrachloromethane; at 60 - 70 ℃;

DOI:10.1016/S0040-4039(00)87407-9

Reference yield:

propynoic acid ethyl ester (623-47-2) → ethyl (E)-2,3-dibromopropenoate (26631-69-6) + ethyl (Z)-2,3-dibromoprop-2-enoate (26631-66-3)

Guidance literature:

With bromine; In tetrachloromethane; at -78 ℃; Product distribution; other solvents and temperatures;

DOI:10.1016/S0040-4039(01)93407-0

upstream raw materials:

ethanol

propargyl alcohol

propynoic acid ethyl ester

Downstream raw materials:

(E)-ethyl 2-bromo-3-phenylpropenoate

ethyl 2-bromo-3-(4-methoxyphenyl)-2(E)-propenoate

(2E)-ethyl 2-bromo-5-phenylpent-2-en-4-ynoate

(E)-2-Bromo-5-p-tolyl-pent-2-en-4-ynoic acid ethyl ester