338249

Sigma-Aldrich

3,5-Dimethyl-4-nitroisoxazole

98%

Empirical Formula (Hill Notation):
C5H6N2O3
CAS Number:
Molecular Weight:
142.11
MDL number:
PubChem Substance ID:
NACRES:
NA.22
Pricing and availability is not currently available.

Quality Level

assay

98%

mp

67-69 °C (lit.)

SMILES string

Cc1noc(C)c1[N+]([O-])=O

InChI

1S/C5H6N2O3/c1-3-5(7(8)9)4(2)10-6-3/h1-2H3

InChI key

PMQFLWLYAXYFHG-UHFFFAOYSA-N

Application

3,5-Dimethyl-4-nitroisoxazole was used in the synthesis of:
  • series of methylene bis-isoxazolo[4,5-b]azepines, via reaction with methylene bis-chalcones
  • phenylmethylene bis-isoxazolo[4,5-b]azepine derivatives
  • 3-arylglutaric acids, bis-isoxazoles and bis-pyrazoles

Packaging

5 g in glass bottle

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Precautionary Statements

Target Organs

Respiratory system

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

NONH for all modes of transport

WGK Germany

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

E Rajanarendar et al.
Bioorganic & medicinal chemistry letters, 22(1), 149-153 (2011-12-14)
A series of novel phenylmethylene bis-isoxazolo[4,5-b]azepine derivatives (10) have been synthesized from 3-methyl-4-nitro-5-styrylisoxazoles 6. The reaction of 6 with 3,5-dimethyl-4-nitroisoxazole (7) in piperidine afforded the Michael type adducts 8, which on treatment with different substituted chalcones in the presence of...
Three multicomponent reactions of 3, 5-dimethyl-4-nitroisoxazole.
Adamo MFA, et al.
Tetrahedron, 63(39), 9741-9745 (2007)
E Rajanarendar et al.
European journal of medicinal chemistry, 50, 344-349 (2012-03-06)
A series of novel methylene bis-isoxazolo[4,5-b]azepines have been synthesized by reaction of 3,5-dimethyl-4-nitroisoxazole 6 with an appropriate methylene bis-chalcones 7 to obtain various Michael adducts 8a-i, which on treatment with SnCl(2)-MeOH underwent reductive cyclization to afford the title compounds 9a-i....

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