4,5,5-trifluoropent-4-enoic Acid

Base Information

• Chemical Name: 4,5,5-trifluoropent-4-enoic Acid
• CAS No.: 110003-22-0
• Molecular Formula: C5H5F3O2
• Molecular Weight: 154.089
• Hs Code.: 2916190090
• European Community (EC) Number: 671-748-9
• DSSTox Substance ID: DTXSID90382089
• Mol file: 110003-22-0.mol

Synonyms:4,5,5-trifluoropent-4-enoic Acid;110003-22-0;4,5,5-TRIFLUOROPENT-4-ENOICACID;4,5,5-trifluoro-4-pentenoic acid;MFCD00156072;4,5,5-tris(fluoranyl)pent-4-enoic acid;4-Pentenoic acid,4,5,5-trifluoro-;SCHEMBL866312;DTXSID90382089;AKOS005173381;FS-4628;CS-0205879;FT-0676923;F83007;A802121;A802125

Chemical Property of 4,5,5-trifluoropent-4-enoic Acid

Chemical Property:

• Vapor Pressure: 0.104mmHg at 25°C
• Refractive Index: 1.385
• Boiling Point: 205.1 °C at 760 mmHg
• PKA: 4.27±0.10(Predicted)
• Flash Point: 77.9 °C
• PSA: 37.30000
• Density: 1.336 g/cm³
• LogP: 1.92880
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 154.02416388
• Heavy Atom Count: 10
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

4,5,5-Trifluoropent-4-enoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC(=O)O)C(=C(F)F)F
• Uses: 4,5,5-Trifluoropent-4-enoic acid is used in the prearation of polymer electrolyte for lithium ion battery.

Technology Process of 4,5,5-trifluoropent-4-enoic Acid

There total 1 articles about 4,5,5-trifluoropent-4-enoic 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:

1,1,2-trifluoro-4-bromobut-1-ene (10493-44-4) → 4,5,5-trifluoropent-4-enoic acid (110003-22-0)

Guidance literature:

With hydrogenchloride; sodium hydroxide; magnesium; In diethyl ether;

Reference yield:

5-methylpyrazin-2-amine (5521-58-4) + 4,5,5-trifluoropent-4-enoic acid (110003-22-0) → C10H10F3N3O

Guidance literature:

With trichlorophosphate; In acetonitrile; Reflux;

DOI:10.1016/j.bmcl.2021.127917

Reference yield:

4,5,5-trifluoropent-4-enoic acid (110003-22-0) + 2-bromo-4,6-difluoroaniline (444-14-4) → C11H7BrF5NO

Guidance literature:

With trichlorophosphate; In acetonitrile; Reflux;

DOI:10.1016/j.bmcl.2021.127917

upstream raw materials:

1,1,2-trifluoro-4-bromobut-1-ene

Downstream raw materials:

4,5,5-trifluoro-4-ene-pentanol

6,7,7-trifluoro-1-[(1-phenyl-1H-tetrazol-5-yl)thio]-6-hepten-3-ol

6,7,7-trifluoro-1-[(1-phenyl-1H-tetrazol-5-yl)thio]-6-hepten-3-one

6,7,7-trifluoro-3-methyl-1-[(1-phenyl-1H-tetrazol-5-yl)thio]-6-hepten-3-ol

Refernces