2-Amino-2-(4-fluorophenyl)acetic acid

Base Information

• Chemical Name: 2-Amino-2-(4-fluorophenyl)acetic acid
• CAS No.: 7292-73-1
• Molecular Formula: C8H8FNO2
• Molecular Weight: 169.155
• Hs Code.: 29224999
• European Community (EC) Number: 230-724-4
• NSC Number: 101466
• Nikkaji Number: J360.088B
• Mol file: 7292-73-1.mol

Synonyms:(R)-4-fluorophenylglycine;4-fluorophenylglycine;p-fluorophenylglycine;p-FPG

Chemical Property of 2-Amino-2-(4-fluorophenyl)acetic acid

Chemical Property:

• Appearance/Colour: Pale yellow powder
• Vapor Pressure: 0.000988mmHg at 25°C
• Melting Point: ≥300 °C(lit.)
• Refractive Index: 1.565
• Boiling Point: 289.9 °C at 760 mmHg
• PKA: 1.90±0.10(Predicted)
• Flash Point: 129.1 °C
• PSA: 63.32000
• Density: 1.347 g/cm³
• LogP: 1.61040
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 169.05390666
• Heavy Atom Count: 12
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

4-Fluoro-DL-phenylglycine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-22
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Amino-2-(4-fluorophenyl)acetic acid

There total 18 articles about 2-Amino-2-(4-fluorophenyl)acetic 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: 94.0%

2-(4-fluorophenyl)-2-oxoacetic acid (2251-76-5) → (2RS)-N-(p-fluorophenyl)glycine (7292-73-1)

Guidance literature:

With C₂₆H₃₄ClIrN₄O; ammonium formate; In methanol; at 80 ℃; for 0.5h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.joc.9b01565

Reference yield: 89.0%

2-(4-fluorophenyl)-2-hydroxyiminoacetic acid (1353886-53-9) → (2RS)-N-(p-fluorophenyl)glycine (7292-73-1)

Guidance literature:

With sodium tetrahydroborate; nickel; sodium hydroxide; In methanol; water; at 20 - 30 ℃;

DOI:10.1039/c1ob06471a

Reference yield: 79.0%

N-Benzoyl-α-(4-fluorophenyl)glycine (109083-80-9) → (2RS)-N-(p-fluorophenyl)glycine (7292-73-1)

Guidance literature:

With hydrogenchloride; for 18h;

upstream raw materials:

N-Benzoyl-α-(4-fluorophenyl)glycine

2-amino-2-(4-fluorophenyl)acetonitrile

N-benzyl-4-fluorophenylglycine

[(diphenylmethyl)amino](4-fluorophenyl)acetonitrile

Downstream raw materials:

C₁₀H₇F₄NO₃

methyl 2-((tert-butoxycarbonyl)amino)-2-(4-fluorophenyl)acetate

2-(4-fluorophenyl)-5-methoxybenzo[d]oxazole

C₁₄H₁₂FNO