3-Amino-5-tert-butylisoxazole
- Product Name
- 3-Amino-5-tert-butylisoxazole
- CAS No.
- 55809-36-4
- Chemical Name
- 3-Amino-5-tert-butylisoxazole
- Synonyms
- TIMTEC-BB SBB005492;3-AMINO-5-T-BUTYLISOXAZOLE;5-TERT-BUTYLISOXAZOL-3-AMINE;3-AMINO-5-TERT-BUTYLISOXAZOLE;5-tert-Butyl-3-isoxazolylamine;5-(tert-Butyl)-3-isoxazolamine;5-TERT-BUTYL-ISOXAZOL-3-YLAMINE;5-tert-butyl-1,2-oxazol-3-aMine;3-Amino-5-tert-butylisoxazole 97%;3-Amino-5-tert-butylisoxazole,97%
- CBNumber
- CB1455513
- Molecular Formula
- C7H12N2O
- Formula Weight
- 140.18
- MOL File
- 55809-36-4.mol
3-Amino-5-tert-butylisoxazole Property
- Melting point:
- 110-114 °C
- Boiling point:
- 248.1±28.0 °C(Predicted)
- Density
- 1.042±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 2.37±0.10(Predicted)
- color
- White to Light yellow
- BRN
- 1100990
- InChI
- InChI=1S/C7H12N2O/c1-7(2,3)5-4-6(8)9-10-5/h4H,1-3H3,(H2,8,9)
- InChIKey
- GGXGVZJHUKEJHO-UHFFFAOYSA-N
- SMILES
- O1C(C(C)(C)C)=CC(N)=N1
- CAS DataBase Reference
- 55809-36-4(CAS DataBase Reference)
- EPA Substance Registry System
- 3-Isoxazolamine, 5-(1,1-dimethylethyl)- (55809-36-4)
Safety
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22-36/37/38-37/38-36
- Safety Statements
- 26-36-37
- WGK Germany
- 3
- HazardClass
- IRRITANT
- HS Code
- 2934999090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405Store locked up.
N-Bromosuccinimide Price
- Product number
- 666580
- Product name
- 3-Amino-5-tert-butylisoxazole
- Purity
- 97%
- Packaging
- 5g
- Price
- $67.8
- Updated
- 2023/06/20
- Product number
- A2341
- Product name
- 3-Amino-5-tert-butylisoxazole
- Purity
- >97.0%(GC)(T)
- Packaging
- 5g
- Price
- $101
- Updated
- 2025/07/31
- Product number
- A2341
- Product name
- 3-Amino-5-tert-butylisoxazole
- Purity
- >97.0%(GC)(T)
- Packaging
- 25g
- Price
- $474
- Updated
- 2021/12/16
- Product number
- A617618
- Product name
- 3-Amino-5-tert-butylisoxazole
- Packaging
- 250mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- FA42257
- Product name
- 3-Amino-5-tert-butylisoxazole
- Packaging
- 5G
- Price
- $50
- Updated
- 2021/12/16
3-Amino-5-tert-butylisoxazole Chemical Properties,Usage,Production
Uses
Amination of aryl bromides catalyzed by Pd(dba)3 (Aldrich Catalog No. 328774) and Xantphos (Aldrich Catalog No. 526460).1
Uses
Amination of aryl bromides catalyzed by Pd(dba)3 (Aldrich Catalog No. 328774) and Xantphos (Aldrich Catalog No. 526460).
Uses
3-Amino-5-tert-butylisoxazole is a degradation product of herbicide isouron.
Synthesis
59997-51-2
55809-36-4
Example 1: Gaseous hydrogen chloride (26.3 g) was added to 4,4-dimethyl-3-oxopentanenitrile (75.102 g) suspended in a mixture of anhydrous toluene (150 ml) and anhydrous methanol (26.7 ml) at 5° C. to 10° C. with continuous stirring. Subsequently, the reaction mixture was allowed to stand at 10° to 12°C for 23 hours. Under cooling and stirring conditions, anhydrous methanol (750 ml) followed by triethylamine (185.178 g) was added slowly and dropwise to the reaction mixture until a complete solution was formed. Next, hydroxylamine sulfate (51.704 g) was added and the reaction mixture was stirred at 50°C for 2 hours. After completion of the reaction, the mixture was concentrated. Hydrochloric acid (112.629 g) was added dropwise to the concentrated mixture and stirring was continued at 50 °C for 1 hour. After removal of the solvent by evaporation under reduced pressure, the residue was adjusted to alkaline with 48% aqueous sodium hydroxide solution under cooling conditions, followed by extraction of the aqueous solution with toluene. After the organic layer was washed with water, the solvent was removed by azeotropic distillation at atmospheric pressure and finally dried to give 3-amino-5-tert-butylisoxazole (79.480 g) with a melting point of 106° to 109°C and a yield of 94.5%.
References
[1] Patent: US4200757, 1980, A
[2] Patent: WO2013/100632, 2013, A1. Location in patent: Page/Page column 42; 43
[3] Patent: US2014/371219, 2014, A1. Location in patent: Paragraph 0288; 0289; 0290
[4] Molecules, 2014, vol. 19, # 2, p. 2004 - 2028
[5] Heterocycles, 1991, vol. 32, # 6, p. 1153 - 1158
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Raw materials
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View Lastest Price from 3-Amino-5-tert-butylisoxazole manufacturers
- Product
- 3-Amino-5-tert-butylisoxazole 55809-36-4
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 2000
- Release date
- 2025-09-10
- Product
- 3-Amino-5-tert-butylisoxazole 55809-36-4
- Price
- US $520.00/g
- Min. Order
- 1g
- Purity
- 97
- Supply Ability
- 500 Kg
- Release date
- 2024-02-29
- Product
- 3-Amino-5-tert-butylisoxazole 55809-36-4
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 1000kg
- Release date
- 2022-09-26