N-[(4-fluorophenyl)acetyl]glycine

Base Information

• Chemical Name: N-[(4-fluorophenyl)acetyl]glycine
• CAS No.: 10457-87-1
• Molecular Formula: C10H10FNO3
• Molecular Weight: 211.193
• DSSTox Substance ID: DTXSID60588576
• Wikidata: Q82481332
• Mol file: 10457-87-1.mol

Synonyms:N-[(4-fluorophenyl)acetyl]glycine;10457-87-1;2-[[2-(4-fluorophenyl)acetyl]amino]acetic acid;2-[2-(4-fluorophenyl)acetamido]acetic acid;Glycine, N-[(4-fluorophenyl)acetyl]- (9CI);2-(2-(4-Fluorophenyl)acetamido)acetic acid;Pipamperone metabolite M-XIII;DTXSID60588576;(2-(4-Fluorophenyl)acetyl)glycine;MFCD09739025;AKOS000147570;MCULE-3004504335;LS-06313;CS-0339662

Chemical Property of N-[(4-fluorophenyl)acetyl]glycine

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 211.06447134
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(=O)NCC(=O)O)F

Technology Process of N-[(4-fluorophenyl)acetyl]glycine

There total 1 articles about N-[(4-fluorophenyl)acetyl]glycine 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:

→ [2-(4-fluoro-phenyl)-acetylamino]-acetic acid (10457-87-1)

Guidance literature:

Reference yield: 27.0%

3,4-dimethoxy-benzaldehyde (120-14-9) + [2-(4-fluoro-phenyl)-acetylamino]-acetic acid (10457-87-1) → (Z)-4-(3,4-dimethoxybenzylidene)-2-(4-fluorobenzyl)-5(4H)-oxazolone (622787-45-5)

Guidance literature:

With sodium acetate; acetic anhydride; at 70 - 80 ℃;

DOI:10.3987/COM-06-10710

Reference yield:

[2-(4-fluoro-phenyl)-acetylamino]-acetic acid (10457-87-1) → (Z)-N-butyl-3-(3,4-dimethoxyphenyl)-2-(4-fluorophenylacetylamino)-2-propenamide (622787-16-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 27 percent / sodium acetate; acetic anhydride / 70 - 80 °C

2: 85 percent / triethylamine / CHCl₃ / 3 h / Heating

With sodium acetate; acetic anhydride; triethylamine; In chloroform;

DOI:10.3987/COM-06-10710

Downstream raw materials:

(Z)-4-(3,4-dimethoxybenzylidene)-2-(4-fluorobenzyl)-5(4H)-oxazolone

(Z)-3-(3,4-dimethoxyphenyl)-2-(4-fluorophenylacetylamino)-N-methyl-2-propenamide

(Z)-N-butyl-3-(3,4-dimethoxyphenyl)-2-(4-fluorophenylacetylamino)-2-propenamide