2,2'-{[2-Amino-2-oxo-1-(2,4,6-trimethylphenyl)ethyl]azanediyl}diacetic acid

Base Information

• Chemical Name: 2,2'-{[2-Amino-2-oxo-1-(2,4,6-trimethylphenyl)ethyl]azanediyl}diacetic acid
• CAS No.: 65717-98-8
• Molecular Formula: C₁₅H₂₀N₂O₅
• Molecular Weight: 308.334
• DSSTox Substance ID: DTXSID30602778
• Mol file: 65717-98-8.mol

Synonyms:2,2'-{[2-Amino-2-oxo-1-(2,4,6-trimethylphenyl)ethyl]azanediyl}diacetic acid;2-[[2-amino-2-oxo-1-(2,4,6-trimethylphenyl)ethyl]-(carboxymethyl)amino]acetic acid;SCHEMBL10642646;DTXSID30602778

Chemical Property of 2,2'-{[2-Amino-2-oxo-1-(2,4,6-trimethylphenyl)ethyl]azanediyl}diacetic acid

Chemical Property:

• Melting Point: 218-221oC
• Refractive Index: 1.6280 (estimate)
• Boiling Point: 545°Cat760mmHg
• PKA: 3.50±0.10(Predicted)
• Flash Point: 283.4°C
• PSA: 113.26000
• Density: g/cm³
• LogP: 1.54350
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 308.13722174
• Heavy Atom Count: 22
• Complexity: 412

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,2'-{[2-Amino-2-oxo-1-(2,4,6-trimethylphenyl)ethyl]azanediyl}diacetic acid

There total 1 articles about 2,2'-{[2-Amino-2-oxo-1-(2,4,6-trimethylphenyl)ethyl]azanediyl}diacetic 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: 90.77%

N-(chloroacetyl)-2,4,6-trimethylaniline (3910-51-8) + iminodiacetic acid disodium salt → C15H20N2O5 (65717-98-8)

Guidance literature:

In ethanol; water; at 90 - 95 ℃; for 5h;

upstream raw materials:

N-(chloroacetyl)-2,4,6-trimethylaniline

Refernces