alpha-[(2,2-Dimethyl-1-oxopropyl)amino]benzeneacetic acid

Base Information

• Chemical Name: alpha-[(2,2-Dimethyl-1-oxopropyl)amino]benzeneacetic acid
• CAS No.: 60050-53-5
• Molecular Formula: C₁₃H₁₇NO₃
• Molecular Weight: 235.283
• DSSTox Substance ID: DTXSID101214801
• Mol file: 60050-53-5.mol

Synonyms:60050-53-5;SCHEMBL11742771;DTXSID101214801;AKOS000133728;AKOS017272734;alpha-[(2,2-Dimethyl-1-oxopropyl)amino]benzeneacetic acid

Chemical Property of alpha-[(2,2-Dimethyl-1-oxopropyl)amino]benzeneacetic acid

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 235.12084340
• Heavy Atom Count: 17
• Complexity: 288

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)C(=O)NC(C1=CC=CC=C1)C(=O)O

Technology Process of alpha-[(2,2-Dimethyl-1-oxopropyl)amino]benzeneacetic acid

There total 4 articles about alpha-[(2,2-Dimethyl-1-oxopropyl)amino]benzeneacetic 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: 20.0%

carbon dioxide (124-38-9,18923-20-1) + N-benzyl-2,2-dimethylpropanamide (26209-45-0) → 2-[(2,2-Dimethyl-propionylamino)-methyl]-benzoic acid (120226-43-9) + 2-phenyl-2-pivalamidoacetic acid (60050-53-5)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; at 0 ℃; for 2h;

DOI:10.1016/S0040-4039(00)80473-6

Reference yield:

carbon dioxide (124-38-9,18923-20-1) + N-benzyl-2,2-dimethylpropanamide (26209-45-0) → 2-phenyl-2-pivalamidoacetic acid (60050-53-5)

Guidance literature:

With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In tetrahydrofuran; at 0 ℃; for 2h; Yield given;

DOI:10.1016/S0040-4039(00)80473-6

Reference yield:

pivaloyl chloride (3282-30-2) + phenylglycin (2835-06-5) → 2-phenyl-2-pivalamidoacetic acid (60050-53-5)

Guidance literature:

With sodium hydroxide; In water; at 20 ℃; for 8h;

DOI:10.1002/anie.201510808

upstream raw materials:

carbon dioxide

N-benzyl-2,2-dimethylpropanamide

pivaloyl chloride

phenylglycin

Downstream raw materials:

(2S)-[(2,2-dimethylpropanoyl)amino](phenyl)acetic acid

(2R)-[(2,2-dimethylpropanoyl)amino](phenyl)acetic acid

N-Pivaloyl-DL-phenylglycin-methylester

2-(tert-butyl)-4-phenyl-1,3-oxazol-5(4H)-on