2-BROMO-4-FLUOROCINNAMIC ACID

Base Information

• Chemical Name: 2-BROMO-4-FLUOROCINNAMIC ACID
• CAS No.: 289038-17-1
• Molecular Formula: C₉H₆BrFO₂
• Molecular Weight: 245.048
• Hs Code.: 2916399090
• Mol file: 289038-17-1.mol

Synonyms:2-Bromo-4-fluorocinnamic acid;

Chemical Property of 2-BROMO-4-FLUOROCINNAMIC ACID

Chemical Property:

• Vapor Pressure: 5.67E-05mmHg at 25°C
• Melting Point: 237-238 °C
• Refractive Index: 1.624
• Boiling Point: 332.8 °C at 760 mmHg
• Flash Point: 155.1 °C
• PSA: 37.30000
• Density: 1.685 g/cm³
• LogP: 2.68600
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99.0%Min ^*data from raw suppliers

2-Bromo-4-fluorocinnamic acid 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-BROMO-4-FLUOROCINNAMIC ACID

There total 2 articles about 2-BROMO-4-FLUOROCINNAMIC 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: 92.0%

malonic acid (141-82-2) + 2-bromo-4-fluorobenzaldehyde (59142-68-6) → (E)-3-(2-bromo-4-fluorophenyl)acrylic acid (289038-17-1)

Guidance literature:

With piperidine; pyridine; at 110 ℃;

DOI:10.1016/j.bioorg.2019.01.054

Reference yield:

malonic acid (141-82-2) + 2-bromo-4-fluorobenzaldehyde (59142-68-6) → C9H6BrFO2 (289038-17-1)

Guidance literature:

With piperidine; pyridine; at 90 ℃; for 15h;

DOI:10.1021/acs.orglett.9b00187

Reference yield:

(E)-3-(2-bromo-4-fluorophenyl)acrylic acid (289038-17-1) → 1-(2-bromo-4-fluorophenyl)ethanone (1006-39-9)

Guidance literature:

With iron(II) chloride; In ethanol; at 80 ℃; for 17h;

DOI:10.1039/d1cc01536b

upstream raw materials:

malonic acid

2-bromo-4-fluorobenzaldehyde

Downstream raw materials:

1-(2-bromo-4-fluorophenyl)ethanone

Refernces

• 1、 Rocaboy, Ronan,Baudoin, Olivier. "1,4-Palladium Shift/C(sp3)-H Activation Strategy for the Remote Construction of Five-Membered Rings". supporting information. p. 1434 - 1437. Retrieved 2019/02/19.