beta-Fluoroaspartic acid

Base Information

• Chemical Name: beta-Fluoroaspartic acid
• CAS No.: 68832-48-4
• Molecular Formula: C4H6FNO4
• Molecular Weight: 0
• Mol file: 68832-48-4.mol

Synonyms:beta-fluoroaspartic acid;beta-fluoroaspartic acid, (threo)-isomer;beta-fluoroaspartic acid, hydrochloride;beta-fluoroaspartic acid, hydrochloride, (threo)-isomer

Chemical Property of beta-Fluoroaspartic acid

Chemical Property:

• Vapor Pressure: 0.000778mmHg at 25°C
• Boiling Point: 284.3°C at 760 mmHg
• Flash Point: 125.7°C
• Density: 1.612g/cm³
• XLogP3: -3.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 151.02808583
• Heavy Atom Count: 10
• Complexity: 159

Purity/Quality:

99%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(C(C(=O)O)F)(C(=O)O)N
• Isomeric SMILES: [C@H]([C@H](C(=O)O)F)(C(=O)O)N

Technology Process of beta-Fluoroaspartic acid

There total 2 articles about beta-Fluoroaspartic 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: 75.0%

erythro-di-tert-butyl β-fluoroaspartate → erythro-β-fluoroaspartic acid (67866-76-6,68832-48-4,68832-50-8,72029-71-1,84277-10-1,95530-04-4,106138-31-2)

Guidance literature:

With trifluoroacetic acid; for 1h; Heating;

DOI:10.1021/jm00175a017

Reference yield: 3.3%

dibenzyl 2-dibenzylamino-3-fluorosuccinate → threo-3-fluoroasparatic acid (67866-76-6,68832-48-4,68832-50-8,72029-71-1,84277-10-1,95530-04-4,106138-31-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 20h; Ambient temperature;

DOI:10.1016/S0022-1139(00)83058-4

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