4-Fluoro-D-phenylalanine hydrochloride

Base Information

• Chemical Name: 4-Fluoro-D-phenylalanine hydrochloride
• CAS No.: 122839-52-5
• Molecular Formula: C₉H₁₀FNO₂*ClH
• Molecular Weight: 219.643
• European Community (EC) Number: 689-590-4
• Mol file: 122839-52-5.mol

Synonyms:122839-52-5;4-Fluoro-D-phenylalanine hydrochloride;4-Fluoro-D-phenylalanine HCl;D-4-Fluorophenylalanine hydrochloride;H-D-Phe(4-F)-OH.HCl;(R)-2-Amino-3-(4-fluorophenyl)propanoic acid hydrochloride;D-Phenylalanine, 4-fluoro-, hydrochloride (1:1);(2R)-2-amino-3-(4-fluorophenyl)propanoic acid;hydrochloride;4-Fluoro-D-phe-OH.HCl;4-Fluoro-D-Phe-OH-HCl;SCHEMBL5231769;MFCD01321254;AKOS016843052;CS-W009511;HY-W008795;AS-12911;4-Fluoro-D-phenylalanine hydrochloride, 99%;N12221;(R)-2-Amino-3-(4-fluorophenyl)propanoic acid HCl;(S)-2-Amino-3-(4-fluorophenyl)propanoic acid HCl;Q-102748;(R)-2-Amino-3-(4-fluorophenyl)propanoicacidhydrochloride

Chemical Property of 4-Fluoro-D-phenylalanine hydrochloride

Chemical Property:

• Vapor Pressure: 2.64E-05mmHg at 25°C
• Melting Point: 245 °C (dec.)(lit.)
• Boiling Point: 343.7 °C at 760 mmHg
• Flash Point: 161.7 °C
• PSA: 63.32000
• Density: 1.293g/cm³
• LogP: 2.28240
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 219.0462344
• Heavy Atom Count: 14
• Complexity: 179

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Fluoro-D-phenylalanine hydrochloride 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(C(=O)O)N)F.Cl
• Isomeric SMILES: C1=CC(=CC=C1C[C@H](C(=O)O)N)F.Cl

Technology Process of 4-Fluoro-D-phenylalanine hydrochloride

There total 2 articles about 4-Fluoro-D-phenylalanine hydrochloride 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:

α-benzoylamino-4-fluoro-trans-cinnamic acid (143051-48-3) → (R)-4-fluorophenylalanine hydrochloride (122839-52-5)

Guidance literature:

Multi-step reaction with 2 steps

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

2: concd HCl / 4 h / Heating

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

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

Reference yield:

(R)-4-fluoro-N-benzoyl-phenylalanine (143120-36-9) → (R)-4-fluorophenylalanine hydrochloride (122839-52-5)

Guidance literature:

With hydrogenchloride; for 4h; Yield given; Heating;

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

Reference yield:

(R)-4-fluorophenylalanine hydrochloride (122839-52-5) → (R)-2-Amino-3-(4-fluorophenyl)-1-propanol (200267-65-8,348619-91-0,64230-78-0)

Guidance literature:

upstream raw materials:

(R)-4-fluoro-N-benzoyl-phenylalanine

α-benzoylamino-4-fluoro-trans-cinnamic acid

Downstream raw materials:

(R)-2-Amino-3-(4-fluorophenyl)-1-propanol

Refernces