Fluorocitric acid

Base Information

• Chemical Name: Fluorocitric acid
• CAS No.: 357-89-1
• Molecular Formula: C₆H₇FO₇
• Molecular Weight: 210.116
• Hs Code.: 2918199090
• DSSTox Substance ID: DTXSID80957104
• Nikkaji Number: J1.134.088A
• Wikipedia: Fluorocitric_acid
• Wikidata: Q3497407
• Metabolomics Workbench ID: 44785
• Mol file: 357-89-1.mol

Synonyms:2-fluoro-L-erythro-citrate;erythrofluorocitrate (isomer);fluorocitrate;fluorocitrate mono-sodium salt;fluorocitrate sodium;fluorocitrate sodium salt, (erythro-DL)-isomer;fluorocitrate, (erythro-D)-isomer;fluorocitrate, (erythro-DL)-isomer;fluorocitrate, (threo-L)-isomer

Chemical Property of Fluorocitric acid

Chemical Property:

• Vapor Pressure: 1.29E-05mmHg at 25°C
• Boiling Point: 329.7°Cat760mmHg
• Flash Point: 153.2°C
• PSA: 132.13000
• Density: 1.829g/cm³
• LogP: -1.30050
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 210.01758072
• Heavy Atom Count: 14
• Complexity: 275

Purity/Quality:

98%min ^*data from raw suppliers

FluorocitricAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=O)O)C(C(C(=O)O)F)(C(=O)O)O
• Uses: Fluorocitric Acid is a glial metabolic inhibitor.

Technology Process of Fluorocitric acid

There total 3 articles about Fluorocitric 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: 100.0%

C20H19FO7 (1337971-77-3) → fluorocitrate (357-89-1)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; for 24h; under 2585.81 Torr;

DOI:10.1016/j.jfluchem.2011.07.006

Reference yield: 100.0%

D,L-fluorocitric acid tribenzyl ester (1337971-78-4) → fluorocitrate (357-89-1)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; for 24h; under 2585.81 Torr;

DOI:10.1016/j.jfluchem.2011.07.006

Reference yield:

ethyl bromoacetate (105-36-2) → (1RS,2RS)-1-fluoro-2-hydroxy-propane-1,2,3-tricarboxylic acid (357-89-1,24315-15-9,24346-46-1,31654-44-1,34917-26-5,74841-44-4)

Guidance literature:

With zinc; benzene; beim Behandeln des Reaktionsgemisches mit wss. Schwefelsaeure und Erhitzen des erhaltenen 1-Fluor-2-hydroxy-propan-1,2,3-tricarbonsaeuretriaethylesters (C₁₂H₁₉FO₇; Stereoisomeren-Gemisch) mit wss. Salzsaeure;

upstream raw materials:

ethyl bromoacetate

C₂₀H₁₉FO₇

D,L-fluorocitric acid tribenzyl ester

Refernces