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Sigma-Aldrich

mono-Methyl 5-nitroisophthalate

99%

Synonym(s):

Monomethyl 5-nitrobenzene-1,3-dicarboxylate

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About This Item

Linear Formula:
O2NC6H3-3-(CO2H)CO2CH3
CAS Number:
1955-46-0
Molecular Weight:
225.15
Beilstein:
1469253
EC Number:
217-793-6
MDL number:
MFCD00009793
UNSPSC Code:
12352100
PubChem Substance ID:
24854243
NACRES:
NA.22

Assay

99%

mp

180-182 °C (lit.)

SMILES string

COC(=O)c1cc(cc(c1)[N+]([O-])=O)C(O)=O

InChI

1S/C9H7NO6/c1-16-9(13)6-2-5(8(11)12)3-7(4-6)10(14)15/h2-4H,1H3,(H,11,12)

InChI key

ZCRNIIJXDRYWDU-UHFFFAOYSA-N

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Application

mono-Methyl 5-nitroisophthalate has been used as starting reagent in the synthesis of 3-amide-5-[(dipropylamino)carbonyl]benzoic acids.

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Steven W Kortum et al.
Bioorganic & medicinal chemistry letters, 17(12), 3378-3383 (2007-04-17)
The design and synthesis of a novel series of potent BACE1 hydroxyethylamine inhibitors. These inhibitors feature hydrogen bonding substituents at the C-5 position of the isophthalamide ring with improved selectivity over cathepsin D.

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