3,3-difluoropentanedioic Acid

Base Information

• Chemical Name: 3,3-difluoropentanedioic Acid
• CAS No.: 41131-19-5
• Molecular Formula: C₅H₆F₂O₄
• Molecular Weight: 168.097
• Hs Code.: 2917190090
• European Community (EC) Number: 926-240-4
• DSSTox Substance ID: DTXSID80368195
• Nikkaji Number: J2.595.722I
• Wikidata: Q82154569
• Mol file: 41131-19-5.mol

Synonyms:3,3-difluoropentanedioic Acid;41131-19-5;3,3-DIFLUOROPENTANEDIOICACID;3,3-Difluoroglutaric acid;DTXSID80368195;DJEGOLDQLZCAOL-UHFFFAOYSA-N;HMS1786P13;AKOS001032736;AT19975;CS-0215708;EN300-28292;Z56827438;F1575-0063

Chemical Property of 3,3-difluoropentanedioic Acid

Chemical Property:

• PSA: 74.60000
• LogP: 0.57110
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 168.02341499
• Heavy Atom Count: 11
• Complexity: 159

Purity/Quality:

99%min ^*data from raw suppliers

3,3-Difluoropentanedioicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,3-difluoropentanedioic Acid

There total 2 articles about 3,3-difluoropentanedioic 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: 67.0%

diethyl 3,3-difluoro-1,5-pentanedicarboxylate (2710-66-9) → β,β-Difluorglutarsaeure (41131-19-5)

Guidance literature:

With hydrogenchloride; formic acid; In water; at 100 ℃; for 48h;

DOI:10.1055/s-0037-1610744

Reference yield:

diethyl 1,3-acetonedicarboxylate (105-50-0) → β,β-Difluorglutarsaeure (41131-19-5)

Guidance literature:

Multi-step reaction with 2 steps

1: SF₄

2: aq. HCl

With hydrogenchloride; sulfur tetrafluoride;

upstream raw materials:

diethyl 3,3-difluoro-1,5-pentanedicarboxylate

diethyl 1,3-acetonedicarboxylate

Refernces

• 1、 Cohen, Or,Rozen, Shlomo. "A general route for the synthesis of β,β-difluorocarboxylic acids". . p. 5362 - 5364. Retrieved 2008/12/20.