DL-2-Cyanophenylglycine

Base Information

• Chemical Name: DL-2-Cyanophenylglycine
• CAS No.: 64377-71-5
• Molecular Formula: C9H8N2O2
• Molecular Weight: 176.175
• DSSTox Substance ID: DTXSID70494699
• Mol file: 64377-71-5.mol

Synonyms:DL-2-Cyanophenylglycine;64377-71-5;2-(2-cyanoanilino)acetic acid;N-(2-Cyanophenyl)glycine;SCHEMBL5346877;DTXSID70494699;2-((2-Cyanophenyl)amino)acetic acid;AKOS000261235;CS-0165923;2-((2-cyanophenyl)amino)acetic acid? (Dabigatran Impurity pound(c)

Chemical Property of DL-2-Cyanophenylglycine

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 176.058577502
• Heavy Atom Count: 13
• Complexity: 231

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C#N)NCC(=O)O

Technology Process of DL-2-Cyanophenylglycine

There total 8 articles about DL-2-Cyanophenylglycine 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:

tert-butyl 2-[(2-cyanophenyl)amino]acetate → 2-(2-cyanophenylamino)acetic acid (64377-71-5)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 16h;

Reference yield:

ethyl bromoacetate (105-36-2) + anthranilic acid nitrile (1885-29-6) → 2-(2-cyanophenylamino)acetic acid (64377-71-5)

Guidance literature:

With sodium hydrogencarbonate; In ethanol;

Reference yield:

2-fluorobenzonitrile (394-47-8) → 2-(2-cyanophenylamino)acetic acid (64377-71-5)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 16 h / 120 °C

2: trifluoroacetic acid / dichloromethane / 16 h / 20 °C

With potassium carbonate; trifluoroacetic acid; In dichloromethane; N,N-dimethyl-formamide;

upstream raw materials:

chloroacetic acid

anthranilic acid nitrile

sulfuric acid

2-aminobenzaldehyde oxime

Downstream raw materials:

3-hydroxy-1H-indole-2-carboxylic acid

indoxyl

C₉H₇N₃O₃

3-(2-cyanophenyl)sydnone