Phenyleneethylenetriamine pentaacetic acid

Base Information

Chemical Name:Phenyleneethylenetriamine pentaacetic acid
CAS No.:126736-75-2
Molecular Formula:C18H31N3O10
Molecular Weight:449.45284
Hs Code.:
DSSTox Substance ID:DTXSID20400361
Nikkaji Number:J1.706.996I
Wikidata:Q82203298
Mol file:126736-75-2.mol

Synonyms:PHENYLENEETHYLENETRIAMINE PENTAACETIC ACID;126736-75-2;2-[2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]ethyl-(carboxymethyl)amino]acetic acid;Glycine, N-[2-[bis(carboxymethyl)amino]ethyl]-N-[2-[bis(carboxymethyl)amino]phenyl]-;2,2'-((2-((2-(bis(carboxymethyl)amino)ethyl)(carboxymethyl)amino)phenyl)azanediyl)diacetic acid;DTXSID20400361;HY-W127819;CS-0185989;FT-0673752;J-005428;[[2-[(Carboxymethyl)[2-[bis(carboxymethyl)amino]phenyl]amino]ethyl]imino]diacetic acid

Suppliers and Price of Phenyleneethylenetriamine pentaacetic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
PhenyleneethylenetriaminePentaaceticAcid
250mg
$ 1230.00

Medical Isotopes, Inc.
PhenyleneethylenetriaminePentaaceticAcid
25 mg
$ 840.00

American Custom Chemicals Corporation
PHENYLENEETHYLENETRIAMINE PENTAACETIC ACID 95.00%
250MG
$ 1871.10

American Custom Chemicals Corporation
PHENYLENEETHYLENETRIAMINE PENTAACETIC ACID 95.00%
25MG
$ 739.20

Total 5 raw suppliers

Chemical Property of Phenyleneethylenetriamine pentaacetic acid

Chemical Property:

Melting Point:>300°C
PSA：196.22000
LogP:-0.97560
XLogP3:-2.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:15
Exact Mass:441.13834394
Heavy Atom Count:31
Complexity:639

Purity/Quality:

97% ^*data from raw suppliers

PhenyleneethylenetriaminePentaaceticAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
Uses PHENYLENEETHYLENETRIAMINE PENTAACETIC ACID is a useful precursor of a bifunctional chelating agents A useful precursor of a bifunctional chelating agents.

Technology Process of Phenyleneethylenetriamine pentaacetic acid

There total 2 articles about Phenyleneethylenetriamine pentaacetic 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:

: 468096-13-1
N,N,N-tri-tert-butoxycarbonylmethyl-N'-tert-butoxycarbonylmethyl-N'-[2-di(tert-butoxycarbonylmethyl)aminophenyl]ethylenediamine

: 126736-75-2
N-(2-N,N-dicarboxymethylaminophenyl)ethylenediamine-N,N'N'-triacetic acid

Guidance literature:: With sodium hydroxide; In ethanol; at 60 ℃; for 12h;
DOI:10.1039/b413758b

Reference yield:

: N-(2-aminophenyl)ethylenediamine trihydrochloride

: 126736-75-2
N-(2-N,N-dicarboxymethylaminophenyl)ethylenediamine-N,N'N'-triacetic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 65 percent / K₂CO₃; KI / acetonitrile / 72 h / 80 °C

2: aq. NaOH / ethanol / 12 h / 60 °C

With sodium hydroxide; potassium carbonate; potassium iodide; In ethanol; acetonitrile;
DOI:10.1039/b413758b