1,3-Benzenedicarboxylic acid, 5-(4-(methoxycarbonyl)-2-nitrophenoxy)-, dimethyl ester

Base Information

Chemical Name:1,3-Benzenedicarboxylic acid, 5-(4-(methoxycarbonyl)-2-nitrophenoxy)-, dimethyl ester
CAS No.:100596-39-2
Molecular Formula:C18H15 N O9
Molecular Weight:389.318
Hs Code.:2918990090
DSSTox Substance ID:DTXSID70143418
Wikidata:Q83007275
Mol file:100596-39-2.mol

Synonyms:100596-39-2;1,3-Benzenedicarboxylic acid, 5-(4-(methoxycarbonyl)-2-nitrophenoxy)-, dimethyl ester;Dimethyl 5-(4-(methoxycarbonyl)-2-nitrophenoxy)isophthalate;dimethyl 5-(4-methoxycarbonyl-2-nitrophenoxy)benzene-1,3-dicarboxylate;Dimethyl 5-(4-(methoxycarbonyl)-2-nitrophenoxy)-1,3-benzenedicarboxylate;Dimethyl 5-[4-(methoxycarbonyl)-2-nitrophenoxy]isophthalate;Oprea1_527450;C18H15NO9;DTXSID70143418;C18-H15-N-O9;LS-29779;EU-0018069;FT-0642431;1,3-Benzenedicarboxylicacid,5-[4-(methoxycarbonyl)-2-nitrophenoxy]-,1,3-dimethyl ester;1,3-dimethyl 5-[4-(methoxycarbonyl)-2-nitrophenoxy]benzene-1,3-dicarboxylate

Suppliers and Price of 1,3-Benzenedicarboxylic acid, 5-(4-(methoxycarbonyl)-2-nitrophenoxy)-, dimethyl ester

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

AHH
Methyl-3-nitro-4-(3,5-dicarboxymethyl-phenoxy)benzoate 99%
25g
$ 490.00

Total 6 raw suppliers

Chemical Property of 1,3-Benzenedicarboxylic acid, 5-(4-(methoxycarbonyl)-2-nitrophenoxy)-, dimethyl ester

Chemical Property:

Vapor Pressure:5.8E-11mmHg at 25°C
Boiling Point:521.2 °C at 760 mmHg
Flash Point:209.7 °C
PSA：133.95000
Density:1.363 g/cm³
LogP:3.27010
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:389.07468106
Heavy Atom Count:28
Complexity:578

Purity/Quality:

98%min ^*data from raw suppliers

Methyl-3-nitro-4-(3,5-dicarboxymethyl-phenoxy)benzoate 99% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC(=C(C=C1)OC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)[N+](=O)[O-]

Technology Process of 1,3-Benzenedicarboxylic acid, 5-(4-(methoxycarbonyl)-2-nitrophenoxy)-, dimethyl ester

There total 1 articles about 1,3-Benzenedicarboxylic acid, 5-(4-(methoxycarbonyl)-2-nitrophenoxy)-, dimethyl ester 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:

: 13036-02-7
Dimethyl 5-hydroxyisophthalate

: 329-59-9
4-fluoro-3-nitro-benzoic acid methyl ester

: 100596-39-2
5-(4-methoxycarbonyl-2-nitro-phenoxy)-isophthalic acid dimethyl ester

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 6h;
DOI:10.1021/jm990342j

Reference yield:

: 100596-39-2
5-(4-methoxycarbonyl-2-nitro-phenoxy)-isophthalic acid dimethyl ester

: 100596-38-1
dimethyl 5-[3-amino-4-methoxycarbonylphenoxy]isophthalate

Guidance literature:: With hydrogen; palladium on activated charcoal; In 1,4-dioxane; methanol; at 20 ℃; under 2280 Torr;
DOI:10.1021/jm990342j

Reference yield:

: 100596-39-2
5-(4-methoxycarbonyl-2-nitro-phenoxy)-isophthalic acid dimethyl ester

: 270064-54-5
dimethyl 5-[4-methoxycarbonyl-2-(4-nitrobenzoylamino)phenoxy]isophthalate

Guidance literature:: Multi-step reaction with 2 steps

1: H₂ / 10 percent Pd/C / methanol; dioxane / 20 °C / 2280 Torr

2: Et₃N / CHCl₃ / 20 h / 20 °C

With hydrogen; triethylamine; palladium on activated charcoal; In 1,4-dioxane; methanol; chloroform; 1: Catalytic hydrogenation / 2: Acylation;
DOI:10.1021/jm990342j