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366765

Methyl 2-methyl-3-nitrobenzoate

Name: Methyl 2-methyl-3-nitrobenzoate
Brand: ALDRICH

97%

Synonym(s):

Methyl 3-nitro-o-toluate

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About This Item

Linear Formula:

CH₃C₆H₃(NO₂)CO₂CH₃

CAS Number:

59382-59-1

Molecular Weight:

195.17

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24862702

MDL number:

MFCD00082564

Beilstein/REAXYS Number:

1964020

Assay:

97%

Form:

solid

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Properties

Quality Level

100

assay

97%

form

solid

mp

62-65 °C (lit.)

functional group

ester, nitro

SMILES string

COC(=O)c1cccc(c1C)[N+]([O-])=O

InChI

1S/C9H9NO4/c1-6-7(9(11)14-2)4-3-5-8(6)10(12)13/h3-5H,1-2H3

InChI key

CRZGFIMLHZTLGT-UHFFFAOYSA-N

Description

Application

Methyl 2-methyl-3-nitrobenzoate may be used in the synthesis of:

methyl indole-4-carboxylate
5-aminoisoquinolin-1(2H)-one
5-nitroisocoumarin
substituted nitrostyrene benzoic acids, via reaction with aromatic aldehydes in the presence of DBU in DMSO
4-(hydroxymethyl)-1-tosylindole, via Batcho-Leimgruber modification of the Reissert indole synthesis
[2-(4-fluorophenyl)-1H-indol-4-yl]-1-pyrrolidinylmethanone

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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Effects of 5-aminoisoquinolinone, a water-soluble, potent inhibitor of the activity of poly (ADP-ribose) polymerase on the organ injury and dysfunction caused by haemorrhagic shock.

M C McDonald et al.

British journal of pharmacology, 130(4), 843-850 (2000-06-24)

Poly (ADP-ribose) synthetase (PARP) is a nuclear enzyme activated by strand breaks in DNA, which are caused inter alia by reactive oxygen species (ROS). Here we report on (i) a new synthesis of a water-soluble and potent PARP inhibitor, 5-aminoisoquinolinone

Preparation of 2-arylindole-4-carboxylic amide derivatives.

Kuethe JT and Davies LW.

Tetrahedron, 62(49), 11381-11390 (2006)

Synthesis of 2-Arylindole-4-Carboxylic Amides:[2-(4-Fluorophenyl)-1H-Indol-4-YL]-1-Pyrrolidinylmethanone.

Kuethe JT and Beutner GL.

Organic Syntheses, 92-104 (2009)

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Global Trade Item Number

SKU	GTIN
366765-25G	04061831819922