Flupropanate

Base Information

• Chemical Name: Flupropanate
• CAS No.: 756-09-2
• Molecular Formula: C3H2F4O2
• Molecular Weight: 146.041
• Hs Code.: 29159000
• European Community (EC) Number: 212-049-7
• UNII: 376KS3J2Q6
• DSSTox Substance ID: DTXSID7058177
• Nikkaji Number: J849D
• Wikidata: Q27155689
• Mol file: 756-09-2.mol

Synonyms:Flupropanate;756-09-2;2,2,3,3-Tetrafluoropropionic acid;3H-Tetrafluoropropionic acid;2,2,3,3-tetrafluoropropanoic acid;Flupropanate [ISO];Propanoic acid, 2,2,3,3-tetrafluoro-;MFCD00054686;UNII-376KS3J2Q6;376KS3J2Q6;EINECS 212-049-7;C3H2F4O2;tetrafluoropropionic acid;3h-tetrafluoropropanoic acid;SCHEMBL128482;DTXSID7058177;CHEBI:82013;PXRROZVNOOEPPZ-UHFFFAOYSA-;C3-H2-F4-O2;AC9459;AKOS002662653;BS-42255;SY047513;FT-0609052;T1777;EN300-96639;C18854;Q27155689;F0001-1912

Chemical Property of Flupropanate

Chemical Property:

• Vapor Pressure: 3.47mmHg at 25°C
• Refractive Index: 1.321
• Boiling Point: 140.7 °C at 760 mmHg
• PKA: 0.56±0.10(Predicted)
• Flash Point: 38.9 °C
• PSA: 37.30000
• Density: 1.538 g/cm³
• LogP: 0.97140
• Storage Temp.: 0-6°C
• Solubility.: Chloroform (Slightly), Methanol
• Water Solubility.: Sparingly soluble in water.
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 145.99909195
• Heavy Atom Count: 9
• Complexity: 121

Purity/Quality:

98% ^*data from raw suppliers

2,2,3,3-TetrafluoropropanoicAcid ^*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(C(C(=O)O)(F)F)(F)F
• Uses: 3H-Tetrafluoropropionic acid is used to produce 2,2,3,3-tetrafluoro-propionyl chloride. This reaction will need reagent benzotrichloride.

Technology Process of Flupropanate

There total 9 articles about Flupropanate 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: 70.0%

trichlorfon (52-68-6,66758-31-4) + 2,2,3,3-tetrafluoropropionic acid anhydride (337-83-7) → 2,2,3,3-tetrafluoropropanoic acid (756-09-2) + C7H8Cl3F4O5P (1253045-84-9)

Guidance literature:

In 1,2-dichloro-ethane; at 40 ℃; for 2h;

DOI:10.1134/S1070363210030102

Reference yield: 55.0%

→ 2,2,3,3-tetrafluoropropanoic acid (756-09-2)

Guidance literature:

Reference yield: 35.0%

1,10-Phenanthroline (66-71-7) + 2,2,3,3-tetrafluoropropanol (76-37-9) → 2,2,3,3-tetrafluoropropanoic acid (756-09-2)

Guidance literature:

With sodium hydroxide; CuCl₂; In 2-methyl-propan-1-ol;

upstream raw materials:

polytetrafluoroethylene

sodium cyanide

2,2,3,3-tetrafluoropropanol

ethyl (4,4,5,5-tetrafluoro-3-oxy-3-tert-butylperoxy)pentanoate

Downstream raw materials:

3-Chlor-2,2,3,3-tetrafluor-propionsaeure

2,2,3,3-tetrafluoropropionic acid anhydride

2,2,3,3-tetrafluoro-propionic acid-(4-chloro-anilide)

α,α,β,β-tetrafluoropropionic acid chloride

Refernces

• 1、 -. "PYRIDINONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS". Page/Page column 39. . Retrieved 2020/12/07.
• 2、 Odinokov,Akhmetova,Savchenko,Bazunova,Paramonov,Khalilov. "Ozonolysis of alkenes and studies of reactions of polyfunctional compounds: LXIII.* Ozonolysis of 2,3,3,4,4,-pentafluoro-1-methoxycyclobutene". . p. 1437 - 1445. Retrieved 2007/10/03.