4-Amino-3-(4-fluorophenyl)butanoic acid

Base Information

• Chemical Name: 4-Amino-3-(4-fluorophenyl)butanoic acid
• CAS No.: 52237-19-1
• Molecular Formula: C10H12FNO2
• Molecular Weight: 197.209
• UNII: 6DAU7M5P3D
• DSSTox Substance ID: DTXSID00966612
• Nikkaji Number: J421.284C
• Wikipedia: 4-Fluorophenibut
• Mol file: 52237-19-1.mol

Synonyms:4-amino-3-(4-fluorophenyl)butyric acid;CGP 11130;CGP 11130 , (+-)-isomer;CGP 11130 hydrochloride, (R)-isomer;CGP 11130 hydrochloride, (S)-isomer;CGP-11.130

Chemical Property of 4-Amino-3-(4-fluorophenyl)butanoic acid

Chemical Property:

• Vapor Pressure: 7.28E-05mmHg at 25°C
• Boiling Point: 329.1°Cat760mmHg
• Flash Point: 152.9°C
• PSA: 63.32000
• Density: 1.244g/cm³
• LogP: 2.04300
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 197.08520679
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(CC(=O)O)CN)F
• Use Description: 4-amino-3-(4-fluorophenyl)butanoic acid, a chemical compound, has applications in various fields. In the field of pharmaceuticals and medicinal chemistry, it can serve as a crucial intermediate for the synthesis of pharmaceuticals, potentially contributing to the development of drugs with therapeutic properties. Its role is pivotal in structural modification, allowing the creation of molecules targeting specific biological pathways or receptors, which is vital for drug discovery and development. Additionally, in academic research and organic chemistry, this compound can be employed as a building block for the synthesis of diverse organic molecules, aiding in the study of chemical reactions and the development of new synthetic methodologies. Its versatility across these fields underscores its significance in drug development, chemical research, and the potential advancement of treatments for various medical conditions, ultimately contributing to healthcare and scientific knowledge.

Technology Process of 4-Amino-3-(4-fluorophenyl)butanoic acid

There total 2 articles about 4-Amino-3-(4-fluorophenyl)butanoic 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: 50.0%

trans-4-aminocrotonic acid (38090-53-8) + 4-fluorobenzenediazonium tetrafluoroborate (459-45-0) → β-(p-fluorophenyl)-γ-aminobutyric acid (52237-19-1,747371-90-0)

Guidance literature:

With hydrogenchloride; titanium(III) chloride; In water; at 40 ℃; for 0.583333h; Meerwein arylation;

DOI:10.1016/j.tet.2008.07.117

Reference yield:

→ β-(p-fluorophenyl)-γ-aminobutyric acid (52237-19-1,747371-90-0)

Guidance literature:

Reference yield: 89.0%

β-(p-fluorophenyl)-γ-aminobutyric acid (52237-19-1,747371-90-0) + butan-1-ol (71-36-3) → β-(p-fluorophenyl)-γ-aminobutyric acid butyl ester hydrochloride

Guidance literature:

With hydrogenchloride; at 105 ℃; for 0.5h;

upstream raw materials:

trans-4-aminocrotonic acid

4-fluorobenzenediazonium tetrafluoroborate

Refernces

• 1、 H?fling, Sarah B.,Hultsch, Christina,Wester, Hans-Jürgen,Heinrich, Markus R.. "Radiochemical 18F-fluoroarylation of unsaturated α-, β- and γ-amino acids, application to a radiolabelled analogue of baclofen". experimental part. p. 11846 - 11851. Retrieved 2009/04/06.