Difluoromalonic acid

Base Information

• Chemical Name: Difluoromalonic acid
• CAS No.: 1514-85-8
• Molecular Formula: C3H2F2O4
• Molecular Weight: 140.043
• Hs Code.: 2917190090
• European Community (EC) Number: 826-654-4
• DSSTox Substance ID: DTXSID60435930
• Nikkaji Number: J80.216F
• Wikidata: Q82251071
• ChEMBL ID: CHEMBL3558712
• Mol file: 1514-85-8.mol

Synonyms:1514-85-8;difluoropropanedioic acid;DIFLUOROMALONIC ACID;2,2-difluoropropanedioic Acid;difluoro-Propanedioicacid;difluoropropanedioicacid;Malonic acid, difluoro-;Propanedioic acid, difluoro-;C3H2F2O4;SCHEMBL4948143;CHEMBL3558712;2,2-DIFLUOROMALONIC ACID;DTXSID60435930;Propanedioic acid, 2,2-difluoro- [;AKOS005063870;AT12479;EN300-93334

Chemical Property of Difluoromalonic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 117-118 °C
• Refractive Index: 1.41
• Boiling Point: 315.827 °C at 760 mmHg
• PKA: 1.09±0.32(Predicted)
• Flash Point: 144.808 °C
• PSA: 74.60000
• Density: 1.789 g/cm³
• LogP: -0.20910
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 139.99211486
• Heavy Atom Count: 9
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

Difluoromalonicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Difluoromalonic acid

There total 20 articles about Difluoromalonic 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: 79.8%

1,1,1,3,3,3-hexachloro-2,2-difluoro-propane (3182-26-1) → 2,2-difluoromalonic acid (1514-85-8)

Guidance literature:

With ammonium peroxydisulfate; sodium formate; In N,N-dimethyl-formamide; at 30 ℃; for 5h;

DOI:10.1016/S0022-1139(00)80387-5

Reference yield: 74.6%

1-bromo-1,3,3,3-tetrachloro-1,2,2-trifluoro-propane (422-83-3) → 2,2-difluoromalonic acid (1514-85-8)

Guidance literature:

With ammonium peroxydisulfate; sodium formate; In N,N-dimethyl-formamide; at 30 ℃; for 5h;

DOI:10.1016/S0022-1139(00)80387-5

Reference yield: 57.3%

1,1,3,3-tetrachloro-1,2,2,3-tetrafluoropropane (2354-04-3) → 2,2-difluoromalonic acid (1514-85-8)

Guidance literature:

With ammonium peroxydisulfate; sodium formate; In N,N-dimethyl-formamide; at 30 ℃; for 5h;

DOI:10.1016/S0022-1139(00)80387-5

upstream raw materials:

meso-2,2,3,4,5,5-hexafluoro-adipic acid

racem.-2,2,3,4,5,5-hexafluoro-adipic acid

3,3-dichloro-2,2,3-trifluoro-propionic acid

3,3,3-trichloro-2,2-difluoro-propionic acid

Downstream raw materials:

Difluoroacetic acid

dimethyl 2,2-difluoro-malonate

Refernces

• 1、 -. "METHODS OF MAKING POLYFUNCTIONAL POLYFLUORINATED COMPOUNDS". Page/Page column 21-23. . Retrieved 2019/07/13.