TRANS-2-CHLORO-6-FLUOROCINNAMIC ACID 9&

Base Information

• Chemical Name: TRANS-2-CHLORO-6-FLUOROCINNAMIC ACID 9&
• CAS No.: 206986-82-5
• Molecular Formula: C₉H₆ClFO₂
• Molecular Weight: 200.597
• Mol file: 206986-82-5.mol

Synonyms:2-Propenoicacid, 3-(2-chloro-6-fluorophenyl)-, (E)-;(E)-3-(2-Chloro-6-fluorophenyl)-2-propenoic acid

Chemical Property of TRANS-2-CHLORO-6-FLUOROCINNAMIC ACID 9&

Chemical Property:

• Melting Point: 165-169 °C(lit.)
• PSA: 0.00000
• LogP: 0.00000

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

Useful:

Technology Process of TRANS-2-CHLORO-6-FLUOROCINNAMIC ACID 9&

There total 3 articles about TRANS-2-CHLORO-6-FLUOROCINNAMIC ACID 9& 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: 25.0%

malonic acid (141-82-2) + 2-chloro-6-fluorobenzaldehyde (387-45-1) → 3-(2-chloro-6-fluoro-phenyl)-acrylic acid (206986-82-5) + (2-chloro-bicyclo[4.1.0]hepta-1(6),2,4-trien-7-ylidene)-acetic acid + 3-(2-chloro-phenyl)-3-fluoro-propionic acid

Guidance literature:

With ammonium acetate; In butan-1-ol; Heating;

DOI:10.1007/s11176-005-0377-9

Reference yield:

malonic acid (141-82-2) + 2-chloro-6-fluorobenzaldehyde (387-45-1) → 6-fluoro-2-chloro-trans-cinnamic acid (392-22-3,206986-82-5)

Guidance literature:

With acetic acid; Erhitzen des Reaktionsprodukts;

Reference yield:

2-chloro-6-fluorotoluene (443-83-4) → 6-fluoro-2-chloro-trans-cinnamic acid (392-22-3,206986-82-5)

Guidance literature:

Multi-step reaction with 2 steps

1: carbon disulfide; CrO₂Cl₂ / Behandeln des entstandenen Niederschlags mit Wasser

2: acetic acid / Erhitzen des Reaktionsprodukts

With carbon disulfide; chromyl chloride; acetic acid;

upstream raw materials:

malonic acid

2-chloro-6-fluorobenzaldehyde

2-chloro-6-fluorotoluene

Downstream raw materials:

(E)-3-(2-chloro-6-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)acrylamide

Refernces

• 1、 Lebedev,Lebedeva,Sheludyakov,Kovaleva,Ustinova,Kozhevnikov. "Competitive formation of β-amino acids, propenoic, and ylidenemalonic acids by the Rodionov reaction from malonic acid, aldehydes, and ammonium acetate in alcoholic medium". . p. 1113 - 1124. Retrieved 2007/10/03.