2-Fluoro-4-(trifluoromethyl)cinnamic acid

Base Information

• Chemical Name: 2-Fluoro-4-(trifluoromethyl)cinnamic acid
• CAS No.: 262608-88-8
• Molecular Formula: C10H6F4O2
• Molecular Weight: 234.15
• Hs Code.: 2916399090
• European Community (EC) Number: 671-895-9
• DSSTox Substance ID: DTXSID60420780
• Wikidata: Q76310787
• Mol file: 262608-88-8.mol

Synonyms:2-Fluoro-4-(trifluoromethyl)cinnamic acid;262608-88-8;545393-87-1;(2E)-3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoic acid;3-(2-Fluoro-4-(trifluoromethyl)phenyl)acrylic acid;(E)-3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoic acid;3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoic Acid;(E)-3-(2-fluoro-4-(trifluoromethyl)phenyl)acrylic acid;2-Propenoic acid, 3-[2-fluoro-4-(trifluoromethyl)phenyl]-, (2E)-;SCHEMBL584622;DTXSID60420780;HWBLGORXWYIISR-DUXPYHPUSA-N;MFCD00236292;AKOS015854261;JS-4123;CS-0163058;(E)-2-Fluoro-4-(trifluoromethyl)cinnamic acid;D82212;EN300-1937848;A818347;EN300-21038109;(E)-3-(2-fluoro-4-(trifluoromethyl)phenyl)acrylicacid

Chemical Property of 2-Fluoro-4-(trifluoromethyl)cinnamic acid

Chemical Property:

• PSA: 37.30000
• LogP: 2.94230
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 234.03039208
• Heavy Atom Count: 16
• Complexity: 285

Purity/Quality:

98%min ^*data from raw suppliers

2-Fluoro-4-(trifluoromethyl)cinnamic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)F)C=CC(=O)O
• Isomeric SMILES: C1=CC(=C(C=C1C(F)(F)F)F)/C=C/C(=O)O

Technology Process of 2-Fluoro-4-(trifluoromethyl)cinnamic acid

There total 2 articles about 2-Fluoro-4-(trifluoromethyl)cinnamic 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: 85.0%

malonic acid (141-82-2) + 2-Fluoro-4-(trifluoromethyl)benzaldehyde (89763-93-9) → 3-(2-fluoro-4-trifluoromethyl-phenyl)-acrylic acid (262608-88-8)

Guidance literature:

malonic acid; 2-Fluoro-4-(trifluoromethyl)benzaldehyde; With piperidine; In pyridine; for 3h; Heating / reflux;

With hydrogenchloride; In pyridine; water; at 0 ℃;

Reference yield: 82.5%

→ 3-(2-fluoro-4-trifluoromethyl-phenyl)-acrylic acid (262608-88-8)

Guidance literature:

Reference yield: 88.0%

3-(2-fluoro-4-trifluoromethyl-phenyl)-acrylic acid (262608-88-8) → 3-(2-fluoro-4-trifluoromethyl-phenyl)-acrylamide (1000531-85-0)

Guidance literature:

3-(2-fluoro-4-trifluoromethyl-phenyl)-acrylic acid; With oxalyl dichloride; N,N-dimethyl-formamide; In tetrahydrofuran; at 0 - 20 ℃; for 2.66667h;

With ammonia; In tetrahydrofuran; water; at 0 - 5 ℃; for 0.75h;

upstream raw materials:

malonic acid

2-Fluoro-4-(trifluoromethyl)benzaldehyde

Downstream raw materials:

3-(2-fluoro-4-trifluoromethyl-phenyl)-propionic acid

3-(2-fluoro-4-trifluoromethyl-phenyl)-acrylamide

Refernces

• 1、 -. "5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE COMPOUNDS". Page/Page column 36. . Retrieved 2010/01/30.
• 2、 -. "5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES". Page/Page column 37. . Retrieved 2008/12/06.