237361
Dimethyl 5-nitroisophthalate
98%
Synonym(s):
Dimethyl 5-nitrobenzene-1,3-dicarboxylate
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About This Item
Linear Formula:
O2NC6H3-1,3-(CO2CH3)2
CAS Number:
Molecular Weight:
239.18
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
236-307-3
Beilstein/REAXYS Number:
2140916
MDL number:
Assay:
98%
Form:
solid
InChI key
GGTSJKFPGKFLCZ-UHFFFAOYSA-N
InChI
1S/C10H9NO6/c1-16-9(12)6-3-7(10(13)17-2)5-8(4-6)11(14)15/h3-5H,1-2H3
SMILES string
COC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)OC
assay
98%
form
solid
mp
123-125 °C (lit.)
functional group
ester, nitro
Application
Dimethyl 5-nitroisophthalate has been used as starting reagent in the synthesis of 5-nitro-1,3-bis(ethylenediamine) and 5-nitroisophthaldihydrazide.
Storage Class
11 - Combustible Solids
wgk
WGK 2
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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Puja Panwar et al.
Bioorganic & medicinal chemistry, 15(2), 1138-1145 (2006-11-08)
The tetraphosphonate ligand, 5-amino-1,3-bis(ethylamine-(N,N-dimethyl diphosphonic acid) acetamido) benzene (IPTMP) used in the present study was prepared from 5-nitroisophthalate dimethylester to label with radionuclide for targeted diagnosis and therapy. The synthesized multidentate phosphonate ligand was characterized on the basis of spectroscopic
229. An attempted synthesis of perhydro-2: 8-methylenepyridocoline.
Jennings KF.
Journal of the Chemical Society, 1172-1175 (1957)
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