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424218

Sigma-Aldrich

3-Aminoisoxazole

95%

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About This Item

Empirical Formula (Hill Notation):
C3H4N2O
CAS Number:
1750-42-1
Molecular Weight:
84.08
MDL number:
MFCD00038814
UNSPSC Code:
12352100
PubChem Substance ID:
24866558
NACRES:
NA.22

Quality Level

100

Assay

95%

form

liquid

refractive index

n20/D 1.511 (lit.)

bp

226-228 °C (lit.)

density

1.138 g/mL at 25 °C (lit.)

SMILES string

Nc1ccon1

InChI

1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)

InChI key

RHFWLPWDOYJEAL-UHFFFAOYSA-N

General description

3-Aminoisoxazole (isoxazol-3-amine) is a 3-substituted isoxazole derivative. It is a structural isomer of 5-aminoisoxazole.

Application

3-Aminoisoxazole (isoxazol-3-amine) may be used in the following studies:
  • As a reagent in the synthesis of N-(4-(N-isoxazol-3-ylsulfamoyl)phenyl)acetamide.
  • As a starting material in the synthesis of N-(isoxazol-3-yl)-N′-(carbomethoxy)thiourea.
  • As a starting material in the synthesis of (Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxy-iminoacetic acid, a side-chain of the fourth generation of cephem antibiotics.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

235.4 °F

Flash Point(C)

113 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCG5424
BCBR9678V
MKAA3709V
BCBF0884V
MKAA3709

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Bioorganic & medicinal chemistry, 11(4), 591-600 (2003-01-23)
SAR studies in a series of related 3-(heteroarylthio)cephems determined that a relatively high chemical reactivity of the beta-lactam ring, modulated by electronic effects of substituents at C-3 and C-7, is necessary to achieve high in vitro activity against methicillin-resistant Staphylococcus
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Lyubov'N S, et al.
Tetrahedron, 61(20), 4841-4849 (2005)

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