2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[methoxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid

Base Information

Chemical Name:2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[methoxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid
CAS No.:103471-64-3
Molecular Formula:C32H33 N3 O15
Molecular Weight:699.619
Hs Code.:
DSSTox Substance ID:DTXSID90908440
Mol file:103471-64-3.mol

2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[methoxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid

Synonyms:nitr 2;nitr-2

Suppliers and Price of 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[methoxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid

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

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Chemical Property of 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[methoxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:955.8°C at 760 mmHg
Flash Point:531.9°C
PSA：247.65000
Density:1.517g/cm³
LogP:3.29990
XLogP3:3.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:18
Exact Mass:699.19116735
Heavy Atom Count:50
Complexity:1150

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(C=C1)N(CC(=O)O)CC(=O)O)OCCOC2=C(C=CC(=C2)C(C3=CC4=C(C=C3[N+](=O)[O-])OCO4)OC)N(CC(=O)O)CC(=O)O

Technology Process of 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[methoxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid

There total 3 articles about 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[methoxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic 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:

: 103471-63-2
({2-{2-[2-(Bis-ethoxycarbonylmethyl-amino)-5-methyl-phenoxy]-ethoxy}-4-[methoxy-(6-nitro-benzo[1,3]dioxol-5-yl)-methyl]-phenyl}-ethoxycarbonylmethyl-amino)-acetic acid ethyl ester

: 103471-64-3
({2-{2-[2-(Bis-carboxymethyl-amino)-5-methyl-phenoxy]-ethoxy}-4-[methoxy-(6-nitro-benzo[1,3]dioxol-5-yl)-methyl]-phenyl}-carboxymethyl-amino)-acetic acid

Guidance literature:: With potassium hydroxide; In 1,4-dioxane; methanol; water;
DOI:10.1021/ja00218a034

Reference yield:

: 103471-62-1
6-nitropiperonal dimethyl acetal

: 103471-64-3
({2-{2-[2-(Bis-carboxymethyl-amino)-5-methyl-phenoxy]-ethoxy}-4-[methoxy-(6-nitro-benzo[1,3]dioxol-5-yl)-methyl]-phenyl}-carboxymethyl-amino)-acetic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) trimethylsilyl trifluoromethanesulfonate, 2,6-di-tert-butylpyridine; 2.) tetrabutylammonium fluoride trihydrate / 1.) CHCl₃, room temp.; 2.) CHCl₃, room temp., 15 min.

2: 1M KOH then acid / dioxane; methanol; H₂O

With potassium hydroxide; 2,6-di-tert-butyl-pyridine; trimethylsilyl trifluoromethanesulfonate; tetrabutyl ammonium fluoride; In 1,4-dioxane; methanol; water;
DOI:10.1021/ja00218a034

Reference yield:

: 96315-10-5
N-(2-(2-(2-(bis(methoxycarbonylmethyl)amino)phenoxy)ethoxy)-4-methylphenyl)-N-(methoxycarbonylmethyl)aminoacetic acid methyl ester

: 103471-64-3
({2-{2-[2-(Bis-carboxymethyl-amino)-5-methyl-phenoxy]-ethoxy}-4-[methoxy-(6-nitro-benzo[1,3]dioxol-5-yl)-methyl]-phenyl}-carboxymethyl-amino)-acetic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) trimethylsilyl trifluoromethanesulfonate, 2,6-di-tert-butylpyridine; 2.) tetrabutylammonium fluoride trihydrate / 1.) CHCl₃, room temp.; 2.) CHCl₃, room temp., 15 min.

2: 1M KOH then acid / dioxane; methanol; H₂O

With potassium hydroxide; 2,6-di-tert-butyl-pyridine; trimethylsilyl trifluoromethanesulfonate; tetrabutyl ammonium fluoride; In 1,4-dioxane; methanol; water;
DOI:10.1021/ja00218a034