2-Amino-2-(3-fluorophenyl)acetic acid

Base Information

• Chemical Name: 2-Amino-2-(3-fluorophenyl)acetic acid
• CAS No.: 7292-74-2
• Molecular Formula: C8H8FNO2
• Molecular Weight: 169.155
• Hs Code.: 2922498590
• European Community (EC) Number: 640-531-0
• NSC Number: 101465
• DSSTox Substance ID: DTXSID901297540
• Nikkaji Number: J1.289.631J
• ChEMBL ID: CHEMBL4063644
• Mol file: 7292-74-2.mol

Synonyms:7292-74-2;2-amino-2-(3-fluorophenyl)acetic acid;Amino-(3-fluoro-phenyl)-acetic acid;3-Fluoro-DL-phenylglycine;Amino-(3-fluorophenyl)acetic acid;MFCD00049325;3-Fluorophenylglycine;DL-2-(3-fluorophenyl)glycine;NSC101465;H-DL-Phg(3-F)-OH;SCHEMBL431704;CHEMBL4063644;DTXSID901297540;3-Fluoro-alpha-aminobenzeneacetic acid;AKOS000176155;AKOS016051389;alpha-Amino-3-fluorobenzeneacetic acid;6L-341S;AB02084;AB05384;AB88401;Benzeneacetic acid, a-amino-3-fluoro-;NSC-101465;AMINO-(3-FLUORO-PHENYL)-ACETICACID;BB 0249649;CS-0106493;FT-0636418;FT-0694631;EN300-70164;F2167-0076;Z317024592

Chemical Property of 2-Amino-2-(3-fluorophenyl)acetic acid

Chemical Property:

• Vapor Pressure: 0.00123mmHg at 25°C
• Melting Point: >250 °C
• Refractive Index: 1.565
• Boiling Point: 286.5 °C at 760 mmHg
• PKA: 1.74±0.10(Predicted)
• Flash Point: 127.1 °C
• PSA: 63.32000
• Density: 1.347 g/cm³
• LogP: 1.61040
• 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: 174

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-2-(3-fluorophenyl)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)F)C(C(=O)O)N
• Uses: 3-Fluoro-DL-phenylglycine is used as pharmaceutical intermediate.

Technology Process of 2-Amino-2-(3-fluorophenyl)acetic acid

There total 8 articles about 2-Amino-2-(3-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: 81.0%

benzylamino-(3-fluoro-phenyl)-acetic acid (271583-22-3) → DL-2-(3-fluorophenyl)glycine (7292-74-2)

Guidance literature:

With sodium hydroxide; hydrazine hydrate; palladium on activated charcoal; In water; for 10h; Heating;

DOI:10.1080/00397910008087127

Reference yield:

5-(m-fluorophenyl)hydantoin → DL-2-(3-fluorophenyl)glycine (7292-74-2)

Guidance literature:

With potassium carbonate; In water; at 178 ℃; for 0.0666667h; under 18751.9 Torr;

Reference yield:

(3-Fluoro-phenyl)-[(E)-hydroxyimino]-acetic acid → DL-2-(3-fluorophenyl)glycine (7292-74-2)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In ethanol; for 6h; under 760 Torr; Ambient temperature;

DOI:10.1021/jm00055a002

upstream raw materials:

benzylamino-(3-fluoro-phenyl)-acetic acid

2-(benzylamino)-2-(3-fluorophenyl)acetonitrile

2-benzylamino-2-(3-fluoro-phenyl)-acetamide

3-Fluorobenzaldehyde

Downstream raw materials:

rac-2-amino-2-(3-fluorophenyl)ethanol

6-(6-(3-(3-fluorophenyl)morpholino)imidazo[1,2-b]pyridazin-3-yl)indolin-2-one

α-bromo-(3-fluorophenyl)acetic acid

Refernces

• 1、 Davies, Antony J.,Ashwood, Michael S.,Cottrell, Ian F.. "A facile synthesis of substituted phenylglycines". . p. 1095 - 1102. Retrieved 2007/10/03.