2-Fluoro-D-phenylalanine

Base Information

• Chemical Name: 2-Fluoro-D-phenylalanine
• CAS No.: 122839-51-4
• Molecular Formula: C₉H₁₀FNO₂*ClH
• Molecular Weight: 219.643
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID90924286
• Nikkaji Number: J179.689E
• Mol file: 122839-51-4.mol

Synonyms:2-Fluoro-D-phenylalanine;97731-02-7;(R)-2-Amino-3-(2-fluorophenyl)propanoic acid;D-2-Fluorophenylalanine;2-FLUORO-D-PHE;(2R)-2-amino-3-(2-fluorophenyl)propanoic acid;122839-51-4;o-Fluoro-D-phenylalanine;(2R)-2-azaniumyl-3-(2-fluorophenyl)propanoate;MFCD00066447;D-2-Fluoro phenylalanine;(r)-o-fluorophenylalanine;SCHEMBL268942;DTXSID90924286;CHEBI:155832;AKOS016843018;AC-5822;AM83328;CS-W010744;HY-W010028;AS-14324;PD196711;(R)-2-Amino-3-(2-fluorophenyl)propanoicacid;(R)-3-(2-fluorophenyl)-2-aminopropanoic acid;EN300-199908;J-004866

Chemical Property of 2-Fluoro-D-phenylalanine

Chemical Property:

• Boiling Point: 308.1 °C at 760 mmHg
• Flash Point: 140.1 °C
• PSA: 63.32000
• Density: 1.293 g/cm³
• LogP: 2.28240
• Storage Temp.: Store at 0-5°C
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 183.06955672
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

99% ^*data from raw suppliers

2-Fluoro-D-phenylalanine ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CC(C(=O)O)N)F
• Isomeric SMILES: C1=CC=C(C(=C1)C[C@H](C(=O)O)N)F

Technology Process of 2-Fluoro-D-phenylalanine

There total 2 articles about 2-Fluoro-D-phenylalanine 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: 56.0%

(R)-2-fluoro-N-benzoyl-phenylalanine (143051-54-1) → 2-fluoro-D-phenylalanine ; hydrochloride (122839-51-4)

Guidance literature:

With hydrogenchloride; for 8h; Heating;

DOI:10.1016/S0957-4166(00)80262-1

Reference yield:

(Z)-2-Benzoylamino-3-(2-fluoro-phenyl)-acrylic acid (143051-46-1) → 2-fluoro-D-phenylalanine ; hydrochloride (122839-51-4)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂, cationic rhodium complex with (+)-(S)-"Propraphos" / methanol / 25 °C / 750.06 Torr

2: 56 percent / concd HCl / 8 h / Heating

With hydrogenchloride; cationic rhodium complex with (+)-(S)-"Propraphos"; hydrogen; In methanol;

DOI:10.1016/S0957-4166(00)80262-1

upstream raw materials:

(R)-2-fluoro-N-benzoyl-phenylalanine

(Z)-2-Benzoylamino-3-(2-fluoro-phenyl)-acrylic acid

Refernces