(S)-4-Fluorophenylglycine

Base Information

• Chemical Name: (S)-4-Fluorophenylglycine
• CAS No.: 19883-57-9
• Molecular Formula: C8H8FNO2
• Molecular Weight: 169.155
• Hs Code.: 29224999
• DSSTox Substance ID: DTXSID80357387
• Nikkaji Number: J215.865E
• ChEMBL ID: CHEMBL4088806
• Mol file: 19883-57-9.mol

Synonyms:19883-57-9;(S)-4-Fluorophenylglycine;(s)-2-amino-2-(4-fluorophenyl)acetic acid;L-4-Fluorophenylglycine;(2S)-2-amino-2-(4-fluorophenyl)acetic acid;4-fluoro-l-phenylglycine;L4FPG;L-4FPG;4-Fluoro-L-alpha-phenylglycine;l(+)-4-fluorophenylglycine;2-(4-fluorophenyl)-L-glycine;MFCD00213799;L 4FPG;H-Phg(4-F)-OH;4-Fluoro-L-2-phenylglycine;SCHEMBL207638;CHEMBL4088806;DTXSID80357387;JKFYKCYQEWQPTM-ZETCQYMHSA-N;AKOS015854067;AC-5309;CS-W002519;HY-W002519;(s)-amino-(4-fluoro-phenyl)-acetic acid;AM803458;AS-12524;PD196403;(S)-alpha-amino-4-fluorobenzeneacetic acid;A4354;F0862;(2S)-2-azaniumyl-2-(4-fluorophenyl)acetate;EN300-91504;(S)-2-Amino-2-(4-fluorophenyl)ethanoic Acid;A13348;(alphaS)-alpha-Amino-4-fluorobenzeneacetic Acid;4-Fluoro-L-alpha-phenylglycine, >=99.0% (NT);Q-200473;Z1255390982;2-(4-fluorophenylamino)acetic acid;DL-4-FLUOROPHENYLGLYCINE;BENZENEACETIC ACID, ALPHA-AMINO-4-FLUORO-, (ALPHAS)-

Chemical Property of (S)-4-Fluorophenylglycine

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 1.11E-05mmHg at 25°C
• Melting Point: ≥300 °C
• Refractive Index: 1.592
• 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
• Solubility.: Soluble in 1M HCl.
• 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

L-4-Fluorophenylglycine ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(C(=O)O)N)F
• Isomeric SMILES: C1=CC(=CC=C1[C@@H](C(=O)O)N)F
• Uses: An optically active amino acid derivative as intermediate for making drugs. 4-Fluoro-L-phenylglycine is an optically active amino acid derivative that is used as an intermediate for making drugs.

Technology Process of (S)-4-Fluorophenylglycine

There total 34 articles about (S)-4-Fluorophenylglycine 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: 99.0%

4-fluoro-(RS)-phenylglycinamide hydrochloride (1428149-40-9) → (S)-2-amino-2-(4-fluorophenyl)acetic acid (19883-57-9)

Guidance literature:

With pyridoxal 5'-phosphate monohydrate; cobalt(II) chloride; In aq. buffer; at 40 ℃; for 24h; pH=7.0; Enzymatic reaction;

DOI:10.1002/adsc.201100923

Reference yield: 91.0%

N-acetyl-4-fluorophenylglycine (153381-37-4) → (S)-2-amino-2-(4-fluorophenyl)acetic acid (19883-57-9)

Guidance literature:

With water; aminoacylase from Streptoverticillium olivoreticuli;

Reference yield: 89.0%

(S)-2-(benzylamino)-2-(4-fluorophenyl)acetic acid (159707-18-3) → (S)-2-amino-2-(4-fluorophenyl)acetic acid (19883-57-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In acetic acid; for 24h;

upstream raw materials:

N-acetyl-4-fluorophenylglycine

(3R,5S,6R)-2,3,5,6-Tetrahydro-3-(p-fluorophenyl)-5,6-diphenyl-1,4-oxazin-2-one

(S)-methyl 2-amino-2-(4-fluorophenyl)acetate

(S)-2-(benzylamino)-2-(4-fluorophenyl)acetic acid

Downstream raw materials:

(R)-2-amino-2-(4-fluorophenyl)ethanol

L-772405

(S)-methyl 2-amino-2-(4-fluorophenyl)acetate hydrochloride

Refernces

• 1、 Lin, Chao-Ping,Tang, Xiao-Ling,Zheng, Ren-Chao,Zheng, Yu-Guo. "Efficient chemoenzymatic synthesis of (S)-α-amino-4-fluorobenzeneacetic acid using immobilized penicillin amidase". . p. 174 - 179. Retrieved 2018.
• 2、 Das, Braja Gopal,Nallagonda, Rajender,Dey, Dhananjay,Ghorai, Prasanta. "Synthesis of Air- and Moisture-Stable, Storable Chiral Oxorhenium Complexes and Their Application as Catalysts for the Enantioselective Imine Reduction". . p. 12601 - 12605. Retrieved 2015/09/01.