2-Fluoro-dl-phenylalanine

Base Information

• Chemical Name: 2-Fluoro-dl-phenylalanine
• CAS No.: 2629-55-2
• Molecular Formula: C9H10FNO2
• Molecular Weight: 183.182
• Hs Code.: 2922499990
• European Community (EC) Number: 220-105-7
• DSSTox Substance ID: DTXSID501313097
• Nikkaji Number: J33.788I
• ChEMBL ID: CHEMBL4597435
• Mol file: 2629-55-2.mol

Synonyms:2-fluorophenylalanine;2-fluorophenylalanine, (DL)-isomer;2-fluorophenylalanine, (L)-isomer;L-(2-18F)-fluorophenylalanine;ortho-fluorophenylalanine

Chemical Property of 2-Fluoro-dl-phenylalanine

Chemical Property:

• Appearance/Colour: white to off-white powder
• Melting Point: 243-246 °C(lit.)
• Boiling Point: 308.1 °C at 760 mmHg
• PKA: pK1:2.14(＋1);pK2:9.01(0) (25°C)
• Flash Point: 140.1 °C
• PSA: 63.32000
• Density: 1.293 g/cm³
• LogP: 1.48040
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• 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:

98% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): R22:Harmful if swallowed.
• Hazard Codes: R22:Harmful if swallowed.
• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Uses -> Biochemical Research
• Canonical SMILES: C1=CC=C(C(=C1)CC(C(=O)O)N)F

Technology Process of 2-Fluoro-dl-phenylalanine

There total 17 articles about 2-Fluoro-dl-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: 81.0%

2-(Benzhydrylidene-amino)-3-(2-fluoro-phenyl)-propionic acid methyl ester (145243-39-6) → 2-fluoro-DL-phenylalanine (2629-55-2,325-69-9)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/jo00056a033

Reference yield:

3-(2-fluorophenyl)-2-oxopropionic acid (207910-82-5) → 2-fluoro-DL-phenylalanine (2629-55-2,325-69-9)

Guidance literature:

With 1,4-dihydronicotinamide adenine dinucleotide; potassium chloride; ammonium chloride; hydrogenchloride; Bacillus sphaericus wild type phenylalanine dehydrogenase; In various solvent(s); at 25 ℃; for 0.666667h; pH=8.0;

DOI:10.1039/b406364c

Reference yield:

acetylamino-(2-fluoro-benzyl)-malonic acid diethyl ester (380-69-8) → 2-fluoro-DL-phenylalanine (2629-55-2,325-69-9)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous NaOH / anschliessend Erhitzen mit wss. HCl

2: aqueous HCl

With hydrogenchloride; sodium hydroxide;

DOI:10.1021/ja01160a113

upstream raw materials:

(Z)-4-(2-fluorobenzylidene)-2-phenyloxazol-5(4H)-one

N-acetyl-2-fluoro-DL-phenylalanine

α-benzoylamino-2-fluoro-cinnamic acid

(+/-)-15-aminomethyl-14-hydroxy-5,5-dimethyl-2,8-dithia<9>(2,5)pyridophane

Downstream raw materials:

o-Fluor-DL-phenylalanin-N-trifluoracetat

(R,S)-N-phenylacetyl-2-fluorophenylalanine

2-fluoro-DL-phenylalanine methyl ester hydrochloride

(η5-C5Me5)-RhCl(η2-N,O-NH2CH(CH2C6H4F-2)COO)