3-[(4-fluorobenzoyl)amino]propanoic Acid

Base Information

• Chemical Name: 3-[(4-fluorobenzoyl)amino]propanoic Acid
• CAS No.: 440341-64-0
• Molecular Formula: C10H10FNO3
• Molecular Weight: 211.19
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID60392832
• Wikidata: Q82191277
• Mol file: 440341-64-0.mol

Synonyms:440341-64-0;3-[(4-fluorobenzoyl)amino]propanoic Acid;N-(4-FLUOROBENZOYL)-BETA-ALANINE;3-(4-Fluorobenzamido)propanoic acid;3-[(4-fluorophenyl)formamido]propanoic acid;Oprea1_622426;SCHEMBL1520329;DTXSID60392832;3-(4-Fluorobenzamido)propanoicacid;MFCD02936743;STK980590;AKOS000128795;BS-38077;N-[(4-fluorophenyl)carbonyl]-beta-alanine;EN300-53221;SR-01000575991;SR-01000575991-1;Z85914341

Chemical Property of 3-[(4-fluorobenzoyl)amino]propanoic Acid

Chemical Property:

• Vapor Pressure: 2.14E-08mmHg at 25°C
• Boiling Point: 436.6°C at 760 mmHg
• Flash Point: 217.9°C
• PSA: 66.40000
• Density: 1.306g/cm³
• LogP: 1.42110
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 211.06447134
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

97% ^*data from raw suppliers

N-(4-fluorobenzoyl)-β-alanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)NCCC(=O)O)F

Technology Process of 3-[(4-fluorobenzoyl)amino]propanoic Acid

There total 4 articles about 3-[(4-fluorobenzoyl)amino]propanoic 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: 99.0%

benzyl 3-(4-fluorobenzamido)propanoate (1299469-67-2) → 3-(4-fluorobenzamido)propanoic acid (440341-64-0)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 1.33333h;

DOI:10.1002/anie.201108214

Reference yield: 99.0%

→ 3-(4-fluorobenzamido)propanoic acid (440341-64-0)

Guidance literature:

Reference yield:

4-fluorobenzoyl chloride (403-43-0) + 3-amino propanoic acid (107-95-9) → 3-(4-fluorobenzamido)propanoic acid (440341-64-0)

Guidance literature:

With sodium hydroxide; for 0.5h; pH=9 - 10;

DOI:10.1016/j.bioorg.2020.104208

upstream raw materials:

benzyl 3-(4-fluorobenzamido)propanoate

4-Fluorobenzoic acid

4-fluorobenzoyl chloride

3-amino propanoic acid

Downstream raw materials:

N,N'-(3,7,13,17-tetraoxo-4,8,12,16-tetraazanonadecane-1,19-diyl)bis-(4-fluorobenzamide)

N,N'-(3,7,13,17-tetrathioxo-4,8,12,16-tetraazanonadecane-1,19-diyl)bis-(4-hydroxybenzothioamide)