3,5-DIMETHYL-4-ISOXAZOLEMETHANAMINE Chemical Properties

Boiling point:

239.9±35.0 °C(Predicted)

Density 

1.069±0.06 g/cm3(Predicted)

storage temp. 

under inert gas (nitrogen or Argon) at 2–8 °C

pka

8.30±0.29(Predicted)

form 

crystalline powder

color 

Colourless

InChI

1S/C6H10N2O.ClH/c1-4-6(3-7)5(2)9-8-4;/h3,7H2,1-2H3;1H

InChIKey

WDDUIFIYJWSIOY-UHFFFAOYSA-N

SMILES

NCC1=C(C)ON=C1C.[H]Cl

Safety Information

Hazard Codes 

Xn

Risk Statements 

22

HazardClass 

IRRITANT

HS Code 

2934999090

Storage Class

11 - Combustible Solids

Hazard Classifications

Acute Tox. 4 Oral

3,5-DIMETHYL-4-ISOXAZOLEMETHANAMINE Usage And Synthesis

Synthesis

General procedure for the synthesis of (3,5-dimethylisoxazol-4-yl)methanamine from 4-(chloromethyl)-3,5-dimethylisoxazole: To a solution of 4-(chloromethyl)-3,5-dimethylisoxazole (1.0 g, 6.9 mmol) in dioxane (10 mL) was added ammonia (10 mL). After the reaction mixture was stirred at room temperature for 16 h, it was concentrated and washed with acetonitrile (20 mL) to afford (3,5-dimethylisoxazol-4-yl)methanamine (800 mg, yield: 92%) as a white solid.1H NMR (400 MHz, DMSO-d6): δ= 8.52 (brs, 2H), 3.81 (s, 2H), 2.45 (s , 3H), 2.30 (s, 3H).

References

[1] Patent: WO2018/132372, 2018, A1. Location in patent: Paragraph 00373
[2] Patent: US5089499, 1992, A

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