Perfluoroisobutyric acid

Base Information

• Chemical Name: Perfluoroisobutyric acid
• CAS No.: 335-10-4
• Molecular Formula: C4HF7O2
• Molecular Weight: 214.04
• DSSTox Substance ID: DTXSID10187139
• Nikkaji Number: J856.282B
• Wikidata: Q83058697
• Mol file: 335-10-4.mol

Synonyms:Perfluoroisobutyric acid;335-10-4;Heptafluoroisobutyric acid;2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoic acid;Propanoic acid, 2,3,3,3-tetrafluoro-2-(trifluoromethyl)-;Kyselina heptafluorisomaselna;Kyselina heptafluorisomaselna [Czech];BRN 1790303;2,3,3,3-Tetrafluoro-2-(trifluoromethyl)propionic acid;4-02-00-00858 (Beilstein Handbook Reference);SCHEMBL714540;AMY6670;DTXSID10187139;Propionic acid, 2,3,3,3-tetrafluoro-2-(trifluoromethyl)-;YJDMCDWHXOSSHI-UHFFFAOYSA-N;MFCD01695470;AKOS037621498;EN300-51925

Chemical Property of Perfluoroisobutyric acid

Chemical Property:

• Vapor Pressure: 24.8mmHg at 25°C
• Boiling Point: 101.2°Cat760mmHg
• Flash Point: 15°C
• Density: 1.679g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 1
• Exact Mass: 213.98647640
• Heavy Atom Count: 13
• Complexity: 200

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Perfluoroisobutyric acid

There total 19 articles about Perfluoroisobutyric 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: 74.0%

trans-perfluoro-(4-methyl-2-pentene) (3709-71-5) → heptafluoro-isobutyric acid (335-10-4)

Guidance literature:

With hydrogen; oxygen; lead(II) oxide; ozone; calcium carbonate; palladium; In 1,1,2-Trichloro-1,2,2-trifluoroethane; 1.) 5 deg C to 10 deg C, 2 h, 2.) 20 deg C;

DOI:10.1007/BF02496231

Reference yield: 60.0%

perfluoroisopropyl iodide (677-69-0) + carbon dioxide (124-38-9,18923-20-1) → heptafluoro-isobutyric acid (335-10-4)

Guidance literature:

perfluoroisopropyl iodide; carbon dioxide; With zinc; In N,N-dimethyl-formamide; at 60 ℃; for 2h; Sonication;

With hydrogenchloride; In water; N,N-dimethyl-formamide; Temperature;

Reference yield:

isobutyryl chloride (79-30-1) → heptafluorobutyric Acid (375-22-4) + pentafluoropropionic acid (422-64-0) + heptafluoro-isobutyric acid (335-10-4) + trifluoroacetic acid (76-05-1)

Guidance literature:

With NiF₃; at 5 ℃; Further Variations:; Temperatures; current density; Product distribution; Electrochemical reaction;

DOI:10.1016/j.jfluchem.2006.05.018

upstream raw materials:

2-Methylpropionic anhydride

isobutyric Acid

perfluoroisopropyl iodide

carbon dioxide

Downstream raw materials:

methyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate

heptafluoroisobutyryl chloride

ethyl heptafluoroisobutyrate

Refernces

• 1、 -. "Synthesis method of heptafluoroisobutyronitrile". Paragraph 0085; 0089-0091; 0096; 0100-0102. . Retrieved 2021/03/05.
• 2、 Wang, Yi,Sun, Mengting,Gao, Zhanyang,Zou, Lilin,Zhong, Lingyu,Peng, Ruichao,Yu, Ping,Luo, Yunbai. "A novel and efficient synthetic route to perfluoroisobutyronitrile from perfluoroisobutyryl acid". . p. 37159 - 37164. Retrieved 2018/11/26.