N-{2-[4-(2-Methylpropyl)phenyl]propanoyl}glycine

Base Information

• Chemical Name: N-{2-[4-(2-Methylpropyl)phenyl]propanoyl}glycine
• CAS No.: 110467-58-8
• Molecular Formula: C15H21NO3
• Molecular Weight: 263.337
• DSSTox Substance ID: DTXSID70576020
• Mol file: 110467-58-8.mol

Synonyms:110467-58-8;N-{2-[4-(2-Methylpropyl)phenyl]propanoyl}glycine;SCHEMBL19995953;DTXSID70576020

Chemical Property of N-{2-[4-(2-Methylpropyl)phenyl]propanoyl}glycine

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 263.15214353
• Heavy Atom Count: 19
• Complexity: 307

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)NCC(=O)O

Technology Process of N-{2-[4-(2-Methylpropyl)phenyl]propanoyl}glycine

There total 5 articles about N-{2-[4-(2-Methylpropyl)phenyl]propanoyl}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: 69.0%

2-(4-isobutylphenyl)propionic acid N-oxysuccinimide ester (104400-52-4) + glycine (56-40-6,18875-39-3,25718-94-9) → N-<2-(4-isobutylphenyl)propionyl>glycine (110467-58-8)

Guidance literature:

With sodium hydrogencarbonate; In 1,4-dioxane; for 24h;

Reference yield:

1-(1H-benzo[d][1,2,3]triazol-1-yl)-2-(4-isobutylphenyl)propan-1-one (230644-97-0) + glycine (56-40-6,18875-39-3,25718-94-9) → N-<2-(4-isobutylphenyl)propionyl>glycine (110467-58-8)

Guidance literature:

With trialkylamine; In water; acetonitrile; at 20 ℃; for 3h;

Reference yield:

ibuprofen (15687-27-1,58560-75-1) → N-<2-(4-isobutylphenyl)propionyl>glycine (110467-58-8)

Guidance literature:

Multi-step reaction with 2 steps

1: DCC / acetonitrile

2: H₂ / 5percent Pd/C / ethanol / 24 h / 2585.7 Torr

With hydrogen; dicyclohexyl-carbodiimide; palladium on activated charcoal; In ethanol; acetonitrile;

DOI:10.1002/jps.2600810210

upstream raw materials:

2-(4-isobutylphenyl)propionic acid N-oxysuccinimide ester

glycine

ibuprofen

(+/-)-2-(4-isobutylphenyl)propanoyl chloride

Downstream raw materials:

[2-(4-isobutylphenyl)propionylamino]acetic acid 2-methoxy-4-[(8-methylnonanoylamino)methyl]phenyl ester

[2-(4-isobutylphenyl)propionylamino]acetic acid 2-methoxy-4-[(8-methylnon-6-enoylamino)methyl]phenyl ester