2-fluoropropanedioic Acid

Base Information

• Chemical Name: 2-fluoropropanedioic Acid
• CAS No.: 473-87-0
• Molecular Formula: C3H3FO4
• Molecular Weight: 122.053
• Hs Code.: 2918199890
• European Community (EC) Number: 831-434-6
• UNII: PG4MX47N8Y
• DSSTox Substance ID: DTXSID00274608
• Nikkaji Number: J555.063G
• Wikidata: Q82003998
• Mol file: 473-87-0.mol

Synonyms:2-fluoropropanedioic Acid;2-fluoromalonic acid;473-87-0;fluoromalonic acid;Propanedioic acid, fluoro-;MFCD19228375;Malonic acid, fluoro-;PG4MX47N8Y;SCHEMBL426441;DTXSID00274608;PROPANEDIOIC ACID, 2-FLUORO-;AKOS006379391;PB42871;BS-42793;SY157510;A51197;EN300-143391;A902273

Chemical Property of 2-fluoropropanedioic Acid

Chemical Property:

• Vapor Pressure: 1.11E-06mmHg at 25°C
• Melting Point: 135.8-136.5 °C
• Boiling Point: 375.7oC at 760 mmHg
• PKA: 0.75±0.34(Predicted)
• Flash Point: 181oC
• PSA: 74.60000
• Density: 1.668g/cm3
• LogP: -0.50630
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 122.00153673
• Heavy Atom Count: 8
• Complexity: 107

Purity/Quality:

97% ^*data from raw suppliers

2-fluoropropanedioicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-fluoropropanedioic Acid

There total 1 articles about 2-fluoropropanedioic 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: 26.7%

perfluoroallylfluorosulphate (67641-28-5) → trifluoroacrylic acid (433-68-1) + 2-fluoromalonic acid (473-87-0) + 2,3,3,3-tetrafluoropropionic acid (359-49-9) + C3H3FO5 (1331854-85-3) + C3H2F4O3 (1331854-83-1) + C3HF3O3 (1331854-81-9) + C6H4F2O8 (1331854-75-1) + C6H2F8O4 (1331854-77-3) + C6F6O4 (1331854-73-9) + C6F10O2 (1331854-71-7)

Guidance literature:

With dihydrogen peroxide; sodium hydroxide; In water; at 0 - 8 ℃; for 0.15h;

DOI:10.3390/molecules16086512

Reference yield: 70.3%

2-fluoromalonic acid (473-87-0) + 4-methoxy-aniline (104-94-9) → 2,4-dichloro-3-fluoro-6-methoxyquinoline (1086533-18-7)

Guidance literature:

2-fluoropropanedioic acid; With trichlorophosphate; at 80 ℃;

4-methoxy-aniline; at 60 - 105 ℃; for 2h;

Reference yield: 36.0%

2-fluoromalonic acid (473-87-0) + 2-methoxy-phenylamine (90-04-0) → 2,4-dichloro-3-fluoro-6-methoxyquinoline (1086533-18-7)

Guidance literature:

2-fluoromalonic acid; 2-methoxy-phenylamine; With trichlorophosphate; at 60 - 85 ℃; for 3h; Reflux;

With ammonia; water; pH=9; Cooling with ice;

upstream raw materials:

perfluoroallylfluorosulphate

Downstream raw materials:

2,4-dichloro-3-fluoro-6-methoxyquinoline

1,3-dibenzylurea

N-benzyl-2-fluoroacetamide

5-fluoro-2,2-dimethyl-1,3-dioxane-4,6-dione