Difluoroacetic anhydride

Base Information

• Chemical Name: Difluoroacetic anhydride
• CAS No.: 401-67-2
• Molecular Formula: C4H2F4O3
• Molecular Weight: 174.052
• Hs Code.: 29189900
• European Community (EC) Number: 674-863-2
• DSSTox Substance ID: DTXSID90378861
• Wikidata: Q72462294
• Mol file: 401-67-2.mol

Synonyms:Difluoroacetic anhydride;401-67-2;(2,2-difluoroacetyl) 2,2-difluoroacetate;2,2-difluoroacetyl 2,2-difluoroacetate;Acetic acid, difluoro-, anhydride;2,2-difluoroacetic anhydride;MFCD02093315;C4H2F4O3;difluoroactic anhydride;1,1,5,5-Tetrafluoro-3-oxapentan-2,4-dione;difluoroacetic acid anhydride;SCHEMBL308254;AMY6794;DTXSID90378861;AKOS005169317;MS-20468;2,2-Difluoro-acetic acid 1,1'-anhydride;CS-0121251;D4164;FT-0676229;EN300-105552;F14887;A824954;2,2-bis(fluoranyl)ethanoyl 2,2-bis(fluoranyl)ethanoate;2,2-difluoroacetic acid (2,2-difluoro-1-oxoethyl) ester

Chemical Property of Difluoroacetic anhydride

Chemical Property:

• Vapor Pressure: 49mmHg at 25°C
• Refractive Index: 1.314
• Boiling Point: 93.6 °C at 760 mmHg
• Flash Point: 11.3 °C
• PSA: 43.37000
• Density: 1.478 g/cm³
• LogP: 0.58640
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 173.99400657
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

Difluoroacetic Anhydride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Difluoroacetic anhydride

There total 2 articles about Difluoroacetic anhydride 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:

Difluoroacetic acid (381-73-7) → 2,2-difluoroacetic anhydride (401-67-2)

Guidance literature:

With phosphorus pentoxide;

DOI:10.1021/jo01109a612

Reference yield:

→ 2,2-difluoroacetic anhydride (401-67-2)

Guidance literature:

F2HC-COOH, P4O10;

DOI:10.1021/jo00822a022

Reference yield: 99.7%

2,2-difluoroacetic anhydride (401-67-2) + tert-butyl 7-(N-(4-(hydrazinecarbonyl)benzyl)-N-phenylsulfamoyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate → tert-butyl 7-(N-(4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)benzyl)-N-phenylsulfamoyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate

Guidance literature:

With triethylamine; In tetrahydrofuran; at 80 ℃; for 0.5h;

upstream raw materials:

Difluoroacetic acid

Downstream raw materials:

Difluoroacetic acid

1,1,2,2-tetrafluoroethane

2,2-difluoroacetyl fluoride

ethyl 4,4-difluoro-3-oxo-2-(triphenylphosphoranylidene)butanoate

Refernces

• 1、 D'Orchymont. "Synthesis of 3,3-difluoro-DL-alanine and 3,3-difluoro-DL-alanine precursors". . p. 961 - 963. Retrieved 2007/10/02.