3-Amino-5-tert-butylisoxazole

Base Information

• Chemical Name: 3-Amino-5-tert-butylisoxazole
• CAS No.: 55809-36-4
• Molecular Formula: C7H12N2O
• Molecular Weight: 140.185
• Hs Code.: 2934999090
• Mol file: 55809-36-4.mol

Synonyms:3-Amino-5-t-butylisoxazole;3-Isoxazolamine,5-(1,1-dimethylethyl)-;5-(1,1-Dimethylethyl)-3-isoxazolamine;5-(tert-Butyl)isoxazole-3-amine;5-tert-Butyl-3-aminoisoxazole;5-tert-Butylisoxazol-3-amine;5-tert-Butylisoxazol-3-ylamine;3-Amino-5-t-butyl-isoxazole;

Chemical Property of 3-Amino-5-tert-butylisoxazole

Chemical Property:

• Vapor Pressure: 0.0247mmHg at 25°C
• Melting Point: 110-114 °C
• Refractive Index: 1.496
• Boiling Point: 248.1 °C at 760 mmHg
• PKA: 2.37±0.10(Predicted)
• Flash Point: 103.9 °C
• PSA: 52.05000
• Density: 1.042 g/cm³
• LogP: 2.13550
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: soluble in Methanol

Purity/Quality:

97% ^*data from raw suppliers

3-Amino-5-tert-butylisoxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38-37/38-36
• Safety Statements: 26-36-37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: Amination of aryl bromides catalyzed by Pd(dba)3 (Aldrich Catalog No. 328774) and Xantphos (Aldrich Catalog No. 526460).1 Amination of aryl bromides catalyzed by Pd(dba)3 (Aldrich Catalog No. 328774) and Xantphos (Aldrich Catalog No. 526460). 3-Amino-5-tert-butylisoxazole is a degradation product of herbicide isouron.

Technology Process of 3-Amino-5-tert-butylisoxazole

There total 18 articles about 3-Amino-5-tert-butylisoxazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

N-(3-tert-butylisoxazol-5-yl)-5-tert-butyl-3-aminoisoxazole (136320-07-5) → 3-amino-5-tert-butylisoxazole (55809-36-4) + 3-(tert-butyl)isoxazol-5 (4H)-one (75914-61-3)

Guidance literature:

With hydrogenchloride; for 16h; Heating;

DOI:10.3987/COM-91-5712

Reference yield: 98.5%

4,4,-dimethyl-3-oxopentaneamidoxime (121449-41-0) → 3-amino-5-tert-butylisoxazole (55809-36-4)

Guidance literature:

With hydrogenchloride; In methanol; at 50 ℃; for 3h;

DOI:10.3987/COM-91-5712

Reference yield: 97.0%

4,4-dimethyl-1-methoxy-3-oxo-1-pentenylamine → 3-amino-5-tert-butylisoxazole (55809-36-4)

Guidance literature:

With hydrogenchloride; sodium hydroxide; hydroxylamine hydrochloride; triethylamine; In methanol;

upstream raw materials:

1,1-dimethyl-3-(5-tert-butyl-3-isoxazolyl)urea

5-amino-3-tert-butylisoxazole

4,4,-dimethyl-3-oxopentaneamidoxime

trimethylacetylacetonitrile

Downstream raw materials:

1-(5-tert-butylisoxazol-3-yl)-3-methylurea

1,1-dimethyl-3-(5-tert-butyl-3-isoxazolyl)urea

C₁₉H₂₃F₃N₂O₄S

Refernces

• 1、 Li, Guo-Bo,Ma, Shuang,Yang, Ling-Ling,Ji, Sen,Fang, Zhen,Zhang, Guo,Wang, Li-Jiao,Zhong, Jie-Min,Xiong, Yu,Wang, Jiang-Hong,Huang, Shen-Zhen,Li, Lin-Li,Xiang, Rong,Niu, Dawen,Chen, Ying-Chun,Yang, Sheng-Yong. "Drug Discovery against Psoriasis: Identification of a New Potent FMS-like Tyrosine Kinase 3 (FLT3) Inhibitor, 1-(4-((1H-Pyrazolo[3,4-d]pyrimidin-4-yl)oxy)-3-fluorophenyl)-3-(5-(tert-butyl)isoxazol-3-yl)urea, That Showed Potent Activity in a Psoriatic Animal Model". . p. 8293 - 8305. Retrieved 2016/10/03.
• 2、 Li, Xingzhou,Zhou, Xinming,Zhang, Jing,Wang, Lili,Long, Long,Zheng, Zhibing,Li, Song,Zhong, Wu. "Synthesis and Biological Evaluation of Chromenylurea and Chromanylurea Derivatives as Anti-TNF-a agents that Target the p38 MAPK Pathway". . p. 2004 - 2028. Retrieved 2014/03/21.