Fluorosuccinate

Base Information

• Chemical Name: Fluorosuccinate
• CAS No.: 687-50-3
• Molecular Formula: C4H3FO4--
• Molecular Weight: 136.08
• Hs Code.: 2917190090
• DSSTox Substance ID: DTXSID00988394
• Mol file: 687-50-3.mol

Synonyms:fluorosuccinate;fluorosuccinate, (+-)-isomer;fluorosuccinate, (R)-isomer;fluorosuccinate, (S)-isomer;fluorosuccinic acid

Chemical Property of Fluorosuccinate

Chemical Property:

• Vapor Pressure: 0.0078mmHg at 25°C
• Boiling Point: 248.4°C at 760 mmHg
• Flash Point: 104°C
• PSA: 80.26000
• LogP: -2.78560
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 134.00153673
• Heavy Atom Count: 9
• Complexity: 122

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(=O)[O-])F)C(=O)[O-]

Technology Process of Fluorosuccinate

There total 3 articles about Fluorosuccinate 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:

fluorofumaric acid (672-18-4) → succinic acid (110-15-6) + 2-Fluorosuccinic acid (687-50-3) + α,α'-dideuterofluorosuccinic acid

Guidance literature:

With hydrogen; palladium on activated charcoal; In water-d2; at 26 ℃; for 0.166667h; under 760 Torr; Product distribution; Mechanism; further reagent, solvents, temperatures and times; hydrogenolysis of carbon-fluorine bonds;

DOI:10.1016/S0022-1139(00)85130-1

Reference yield:

aspartic Acid (617-45-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3) → 2-Fluorosuccinic acid (687-50-3)

Guidance literature:

With pyridine; hydrogen fluoride; sodium nitrite;

DOI:10.1021/jo01336a027

Reference yield:

→ 2-Fluorosuccinic acid (687-50-3)

Guidance literature:

entspr. Diethylester, wss. H2SO4, Δ;

DOI:10.1139/v63-264

upstream raw materials:

aspartic Acid

fluorofumaric acid

Downstream raw materials:

(2E)-but-2-enedioic acid

Refernces