2,2',2'',2'''-(1,2-Phenylenedinitrilo)tetraacetic acid

Base Information

• Chemical Name: 2,2',2'',2'''-(1,2-Phenylenedinitrilo)tetraacetic acid
• CAS No.: 40774-59-2
• Molecular Formula: C₁₄H₁₆N₂O₈
• Molecular Weight: 340.29
• DSSTox Substance ID: DTXSID50555035
• Nikkaji Number: J477.781F
• Wikidata: Q82436253
• Mol file: 40774-59-2.mol

Synonyms:40774-59-2;Glycine, N,N'-1,2-phenylenebis[N-(carboxymethyl)-;2,2',2'',2'''-(1,2-Phenylenedinitrilo)tetraacetic acid;2,2',2'',2'''-(1,2-Phenylenebis(azanetriyl))tetraacetic acid;SCHEMBL342415;DTXSID50555035;2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;1,2-phenylenedinitrilotetraacetic acid

Chemical Property of 2,2',2'',2'''-(1,2-Phenylenedinitrilo)tetraacetic acid

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 10
• Exact Mass: 340.09066547
• Heavy Atom Count: 24
• Complexity: 419

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)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O

Technology Process of 2,2',2'',2'''-(1,2-Phenylenedinitrilo)tetraacetic acid

There total 2 articles about 2,2',2'',2'''-(1,2-Phenylenedinitrilo)tetraacetic 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: 52.0%

tetraethyl 2,2',2'',2'''-(1,2-phenylenebis(azanetriyl))tetraacetate (897054-41-0) → ortho-phenylenediamine-N,N,N',N'-tetraacetic acid (40774-59-2)

Guidance literature:

With sodium hydroxide; In ethanol; water; for 18h; Reflux;

DOI:10.1039/c8nj00121a

Reference yield:

→ ortho-phenylenediamine-N,N,N',N'-tetraacetic acid (40774-59-2)

Guidance literature:

o-Phenylendiamin, Na-Salz der Chloressigsaeure;

Reference yield:

ortho-phenylenediamine-N,N,N',N'-tetraacetic acid (40774-59-2) → Mn(2+)*C14H12N2O8(4-)*H2O=Mn(C14H12N2O8)*H2O(2-) (63658-44-6)

Guidance literature:

Multi-step reaction with 2 steps

1: water

2: H₂O

With H₂O; In water;

upstream raw materials:

tetraethyl 2,2',2'',2'''-(1,2-phenylenebis(azanetriyl))tetraacetate

Downstream raw materials:

Mn⁽²⁺⁾*C₁₄H₁₂N₂O₈^(4-)*H₂O=Mn(C₁₄H₁₂N₂O₈)*H₂O^(2-)

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