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131052-47-6

131052-47-6 Structure

131052-47-6 Structure
IdentificationBack Directory
[Name]

3,5-DIMETHYL-4-ISOXAZOLEMETHANAMINE
[CAS]

131052-47-6
[Synonyms]

(3,5-Dimethylisoxazol-4-yl)
4-AMINOMETHYL-3,5-DIMETHYLISOXAZOLE
3,5-DIMETHYL-4-ISOXAZOLEMETHANAMINE
(diMethyl-1,2-oxazol-4-yl)MethanaMine
4-Isoxazolemethanamine, 3,5-dimethyl-
(3,5-dimethyl-4-isoxazolyl)methanamine
(3,5-Dimethylisoxazol-4-yl)methanamine
(3,5-dimethylisoxazol-4-yl)methylamine
(3,5-DIMETHYL-4-ISOXAZOLYL)METHYL]AMINE
3,5-DIMETHYL-4-ISOXAZOLEMETHANAMINE 97.0%
(3,5-dimethylisoxazol-4-yl)methylamine hydrochloride
(3,5-dimethylisoxazol-4-yl)methanamine hydrochloride
[(3,5-DIMETHYL-4-ISOXAZOLYL)METHYL]AMINE HYDROCHLORIDE
1-(3,5-Dimethylisoxazol-4-yl)methanamine hydrochloride
[(3,5-Dimethylisoxazol-4-yl)methyl]amine dihydrobromide
1-(3,5-dimethylisoxazol-4-yl)methanamine(SALTDATA: 1.1HCl)
(3,5-Dimethylisoxazol-4-yl)methylamine, 4-(Aminomethyl)-3,5-dimethyl-1,2-oxazole
[Molecular Formula]

C6H10N2O
[MDL Number]

MFCD06213033
[MOL File]

131052-47-6.mol
[Molecular Weight]

126.16
Chemical PropertiesBack Directory
[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
[form ]

crystalline powder
[pka]

8.30±0.29(Predicted)
[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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22
[HazardClass ]

IRRITANT
[HS Code ]

2934999090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Spectrum DetailBack Directory
[Spectrum Detail]

3,5-DIMETHYL-4-ISOXAZOLEMETHANAMINE(131052-47-6)1HNMR
Hazard InformationBack Directory
[Synthesis]

4-(CHLOROMETHYL)-3,5-DIMETHYLISOXAZOLE

19788-37-5

3,5-DIMETHYL-4-ISOXAZOLEMETHANAMINE

131052-47-6

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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