N,N,N',N'-1,4-Phenylenediaminetetraacetic acid

Base Information

• Chemical Name: N,N,N',N'-1,4-Phenylenediaminetetraacetic acid
• CAS No.: 1099-02-1
• Molecular Formula: C₁₄H₁₆N₂O₈
• Molecular Weight: 340.29
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID00393207
• Nikkaji Number: J1.774.247G
• Wikidata: Q82191868
• Mol file: 1099-02-1.mol

Synonyms:1099-02-1;N,N,N',N'-1,4-Phenylenediaminetetraacetic acid;2,2',2'',2'''-(1,4-Phenylenebis(azanetriyl))tetraacetic acid;2-[4-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;HYDROXINAPINICACID;Phenyldiaminetetraacetic acid;Glycine, N,N'-1,4-phenylenebis[N-(carboxymethyl)-;SCHEMBL8038936;DTXSID00393207;BCP09548;2-({4-[bis(carboxymethyl)amino]phenyl}(carboxymethyl)amino)acetic acid;AKOS003632529;SB83258;FT-0629343;J-002341;N,N,N/',N/'-1,4-Phenylenediaminetetraacetic acid;2,2',2'',2'''-(1,4-Phenylenebis(azanetriyl))tetraaceticacid

Chemical Property of N,N,N',N'-1,4-Phenylenediaminetetraacetic acid

Chemical Property:

• Melting Point: 205°C (dec.)
• Boiling Point: 744.2°Cat760mmHg
• PKA: 1.68±0.10(Predicted)
• Flash Point: 403.9°C
• PSA: 155.68000
• Density: 1.62g/cm³
• LogP: -0.36220
• 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: 411

Purity/Quality:

98%,99%, ^*data from raw suppliers

N,N,N',N'-1,4-PHENYLENEDIAMINETETRAACETIC ACID 97.00% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O

Technology Process of N,N,N',N'-1,4-Phenylenediaminetetraacetic acid

There total 3 articles about N,N,N',N'-1,4-Phenylenediaminetetraacetic 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:

Iodoacetic acid (64-69-7) + 1,4-phenylenediamine (106-50-3) → p-Phenylendiamin-N,N,N',N'-tetraessigsaeure (1099-02-1)

Guidance literature:

With alkaline solution;

Reference yield:

sodium monochloroacetic acid (3926-62-3) + 1,4-phenylenediamine (106-50-3) → p-Phenylendiamin-N,N,N',N'-tetraessigsaeure (1099-02-1)

Guidance literature:

In alkaline aq. solution;

DOI:10.1107/S0108270107047294

Reference yield:

→ p-Phenylendiamin-N,N,N',N'-tetraessigsaeure (1099-02-1)

Guidance literature:

p-Phenylendiamin, CH2ClCO2H, NaI, wss. NaOH, 1h, Siedetemp.;

upstream raw materials:

Iodoacetic acid

1,4-phenylenediamine

sodium monochloroacetic acid

Downstream raw materials:

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

Refernces

• 1、 -. "Therapeutic and diagnostic ligand systems comprising transport molecule binding properties and medicaments containing the same". . . Retrieved 2008/06/13.