4,4,4-Trifluoro-3-phenyl-2-butenoic acid

Base Information

• Chemical Name: 4,4,4-Trifluoro-3-phenyl-2-butenoic acid
• CAS No.: 2143-93-3
• Molecular Formula: C10H7 F3 O2
• Molecular Weight: 216.16
• Hs Code.: 2916399090
• European Community (EC) Number: 887-367-8
• DSSTox Substance ID: DTXSID70353979
• Mol file: 2143-93-3.mol

Synonyms:4,4,4-trifluoro-3-phenylbut-2-enoic acid;2143-93-3;90724-28-0;4,4,4-trifluoro-3-phenyl-2-butenoic acid;CBMicro_025712;beta-trifluoromethylcinnamic acid;DTXSID70353979;AKOS033199718;FT-0634063;A815375;4,4,4-tris(fluoranyl)-3-phenyl-but-2-enoic acid

Chemical Property of 4,4,4-Trifluoro-3-phenyl-2-butenoic acid

Chemical Property:

• Vapor Pressure: 0.000766mmHg at 25°C
• Refractive Index: 1.5
• Boiling Point: 293.8°C at 760 mmHg
• Flash Point: 131.5°C
• PSA: 37.30000
• Density: 1.34g/cm³
• LogP: 2.71690
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 216.03981395
• Heavy Atom Count: 15
• Complexity: 262

Purity/Quality:

98%min ^*data from raw suppliers

(2Z)-4,4,4-trifluoro-3-phenylbut-2-enoicacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4,4,4-Trifluoro-3-phenyl-2-butenoic acid

There total 6 articles about 4,4,4-Trifluoro-3-phenyl-2-butenoic 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%

→ (Z)-3-phenyl-4,4,4-trifluoro-2-butenoic acid (2143-93-3)

Guidance literature:

Reference yield: 80.0%

ethyl (2Z)-3-trifluoromethyl-3-phenylprop-2-enoate (56210-75-4) → (Z)-3-phenyl-4,4,4-trifluoro-2-butenoic acid (2143-93-3)

Guidance literature:

With potassium carbonate; In methanol; water; at 60 ℃; for 2h;

DOI:10.1021/jm00072a019

Reference yield: 78.0%

diethoxyphosphoryl-acetic acid ethyl ester (867-13-0) + 2,2,2-Trifluoroacetophenone (434-45-7) → (Z)-3-phenyl-4,4,4-trifluoro-2-butenoic acid (2143-93-3)

Guidance literature:

diethoxyphosphoryl-acetic acid ethyl ester; With sodium hydride; In tetrahydrofuran; mineral oil; for 0.5h; Cooling;

2,2,2-Trifluoroacetophenone; In tetrahydrofuran; mineral oil; at 20 ℃;

With water; sodium hydroxide; In ethanol; at 20 ℃;

DOI:10.1039/d0ob02417a

upstream raw materials:

ethyl (2Z)-3-trifluoromethyl-3-phenylprop-2-enoate

ethyl 3-phenyl-4,4,4-trifluoro-2-butenoate (E,Z)

2,2,2-Trifluoroacetophenone

diethoxyphosphoryl-acetic acid ethyl ester

Downstream raw materials:

(Z)-3-phenyl-4,4,4-trifluoro-2-butenoyl chloride

Refernces

• 1、 -. "INHIBITORS OF BETA AMYLOID PRODUCTION". Page/Page column 24. . Retrieved 2009/02/11.
• 2、 Carceller, Elena,Merlos, Manuel,Giral, Marta,Almansa, Carmen,Bartroli, Javier,et al.. "Synthesis and Structure-Activity Relationships of 1-Acyl-4-(2-methyl-3-pyridyl)cyanomethyl)piperazines as PAF Antagonists". . p. 2984 - 2997. Retrieved 2007/10/02.