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Sigma-Aldrich

2-Methyl-3-nitrobenzyl alcohol

99%

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About This Item

Linear Formula:
CH3C6H3(NO2)CH2OH
CAS Number:
Molecular Weight:
167.16
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:

Assay

99%

form

solid

mp

69-73 °C (lit.)

SMILES string

Cc1c(CO)cccc1[N+]([O-])=O

InChI

1S/C8H9NO3/c1-6-7(5-10)3-2-4-8(6)9(11)12/h2-4,10H,5H2,1H3

InChI key

QJANIQCEDPJNLO-UHFFFAOYSA-N

Application

2-Methyl-3-nitrobenzyl alcohol was used to prepare 2-methyl-3-nitrobenzyl cyanide. It was also used in the synthesis of 20-membered macrocyclic thiodepsipeptide.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


Certificates of Analysis (COA)

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Marc C Kimber et al.
Chemical communications (Cambridge, England), (5)(5), 591-593 (2008-01-23)
A 20-membered macrocyclic thiodepsipeptide has been synthesized as a model for the southern hemisphere of nosiheptide, the key steps being assembly of an acyclic precursor by amide coupling of indole and thiazole fragments followed by formation of the thiolactone in
Oxidation and Claisen condensation products of 3-nitro-o-xylene.
Askam V and Deeks RHL.
J. Chem. Soc. Sect. C, 14, 1935-1936 (1969)

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