3-CHLORO-4-FLUOROCINNAMIC ACID

Base Information

• Chemical Name: 3-CHLORO-4-FLUOROCINNAMIC ACID
• CAS No.: 155814-22-5
• Molecular Formula: C9H6 Cl F O2
• Molecular Weight: 200.597
• Mol file: 155814-22-5.mol

Synonyms:2-Propenoicacid, 3-(3-chloro-4-fluorophenyl)-, (E)-; (E)-3-(3-Chloro-4-fluorophenyl)-2-propenoicacid; trans-3-(3-Chloro-4-fluorophenyl)-2-propenoic acid

Chemical Property of 3-CHLORO-4-FLUOROCINNAMIC ACID

Chemical Property:

• Vapor Pressure: 8.95E-05mmHg at 25°C
• Melting Point: 173-175°C
• Boiling Point: 326.1oC at 760 mmHg
• Flash Point: 151oC
• PSA: 37.30000
• Density: 1.42g/cm3
• LogP: 2.57690
• Storage Temp.: 2-8°C

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Chloro-4-fluorocinnamicacid 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-Chloro-4-fluorocinnamic Acid (CAS# 58537-11-4) can be used to prepare chemokine receptor modulators.

Technology Process of 3-CHLORO-4-FLUOROCINNAMIC ACID

There total 3 articles about 3-CHLORO-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: 96.0%

malonic acid (141-82-2) + 3-Chloro-4-fluorobenzaldehyde (34328-61-5) → (E)-3-(3-chloro-4-fluorophenyl)acrylic acid (155814-22-5)

Guidance literature:

With piperidine; for 4h; Reagent/catalyst; Temperature; diastereoselective reaction; Reflux;

DOI:10.1016/j.tet.2015.12.063

Reference yield:

piperidine (110-89-4) + 3-Chloro-4-fluorobenzaldehyde (34328-61-5) → (E)-3-(3-chloro-4-fluorophenyl)acrylic acid (155814-22-5)

Guidance literature:

With hydrogenchloride; malonic acid; In pyridine;

Reference yield:

→ (E)-3-(3-chloro-4-fluorophenyl)acrylic acid (155814-22-5)

Guidance literature:

upstream raw materials:

malonic acid

3-Chloro-4-fluorobenzaldehyde

piperidine

Downstream raw materials:

(S)-4-[(E)-3-(3-chloro-4-fluoro-phenyl)-acryloyl]-1-(3-hydroxy-propyl)-3-methyl-piperazin-2-one

4-[(E)-3-(3-Chloro-4-fluoro-phenyl)-acryloyl]-1-[3-((S)-4-hydroxy-6-aza-spiro[2.5]oct-6-yl)-propyl]-3-methyl-piperazin-2-one

4-[(E)-3-(3-Chloro-4-fluoro-phenyl)-acryloyl]-1-[3-((3S,4S)-3-hydroxy-4 methyl-piperidin-1-yl)-propyl]-3-methyl-piperazin-2-one

(S)-2-amino-3-(3-chloro-4-fluorophenyl)propanoic acid

Refernces

• 1、 -. "PHARMACEUTICALLY ACTIVE BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE ACID DERIVATIVES". Page 37. . Retrieved 2010/02/07.
• 2、 -. "Cinnamamidohydantoins". . . Retrieved 2008/06/13.