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55809-36-4 3-Amino-5-tert-butylisoxazole

55809-36-4 3-Amino-5-tert-butylisoxazole

3-Amino-5-tert-butylisoxazole Basic information 3-Amino-5-tert-butylisoxazole Chemical Properties Safety Information 3-Amino-5-tert-butylisoxazole Usage And Synthesis 3-Amino-5-tert-butylisoxazole Preparation Products And Raw materials Upstream information phenyl isocyanate; bis(trichloromethyl)...

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Product Details:

3-Amino-5-tert-butylisoxazole Basic information

Product Name:

3-Amino-5-tert-butylisoxazole

Synonyms:

TIMTEC-BB SBB005492;5-TERT-BUTYLISOXAZOL-3-AMINE;5-TERT-BUTYL-ISOXAZOL-3-YLAMINE;5-(1,1-dimethylethyl)-3-isoxazolamine;3-AMINO-5-TERT-BUTYLISOXAZOLE;3-AMINO-5-T-BUTYLISOXAZOLE;3-Amino-5-tert-butylisoxazole,97%;3-Amino-5-tert-butylisoxazole 97%

CAS:

55809-36-4

MF:

C7H12N2O

MW:

140.18

EINECS:

-0

Product Categories:

Oxazole&Isoxazole;Building Blocks;Heterocyclic Building Blocks;Isoxazoles;Building Blocks;Chemical Synthesis;Heterocyclic Building Blocks

Mol File:

55809-36-4.mol

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3-Amino-5-tert-butylisoxazole Chemical Properties

Density:

1.042 g/cm3

Melting    Point:

110-114ºC

Boiling    Point:

248.1ºC at 760 mmHg

Flash    Point:

103.9ºC

Refractive   Index:

1.496

BRN 

1100990

InChIKey

GGXGVZJHUKEJHO-UHFFFAOYSA-N

CAS DataBase Reference

55809-36-4(CAS    DataBase Reference)

EPA Substance Registry System

3-Isoxazolamine,    5-(1,1-dimethylethyl)-(55809-36-4)


Safety Information

Hazard Codes 

Xn,Xi

Risk Statements 

22-36/37/38-37/38-36

Safety Statements 

26-36-37

Hazard Note 

Irritant

HazardClass 

IRRITANT

Hs code

2934999090


3-Amino-5-tert-butylisoxazole Usage And Synthesis

Uses

Amination of aryl bromides    catalyzed by Pd(dba)3 (Aldrich Catalog No. 328774) and Xantphos (Aldrich    Catalog No. 526460).1

Intermediate as

950769-58-1 Quizartinib (AC220)
     

image003_副本.jpg

Synthesis route

image005_副本.jpg

Reference:

Heterocycles, , vol. 32, # 6 p. 1153 - 1158

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Reference:

1. Takase, Akira; Murabayashi, Akira;Sumimoto, Shinzaburo; Ueda, Shiro; Makisumi, Yasuo Heterocycles,1991,vol.32, # 6 p. 1153 - 1158
2. Heterocycles, , vol.    32, # 6 p. 1153 - 1158

image009_副本.jpg

Reference:

  1. Shionogi and Co., Ltd. Patent: US4200757 A1, 1980

  2. Shionogi and Co., Ltd. Patent: US4256899 A1, 1981

  3. Heterocycles, , vol. 32, # 6 p. 1153 - 1158

  4. US4259501 A1

  5. Eli Lilly and Company Patent: US4259501 A1, 1981

image011_副本.jpg

Reference:

Chemical & Pharmaceutical Bulletin, , vol. 32, # 7 p. 2736 - 2744

image013_副本.jpg

Reference:

Chemical & Pharmaceutical Bulletin, , vol. 32, # 7 p. 2841 - 2844

image015_副本.jpg

Reference:

Chemical & Pharmaceutical Bulletin, , vol. 32, # 7 p. 2841 - 2844

image017_副本.jpg

Reference:

Chemical & Pharmaceutical Bulletin, , vol. 32, # 7 p. 2841 - 2844


3-Amino-5-tert-butylisoxazole Preparation Products And Raw materials

 

Upstream information

phenyl isocyanate; bis(trichloromethyl) carbonate; methyl isocyanate; N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methylpentanamide; 3-Amino-5-tert-butylisoxazole;Diphosgene; N-Ethyl-N-methylcarbamoyl Chloride; 3-tert-butyl-1,2-oxazol-5-amine; 4,4-Dimethylpentanenitrile; Dimethylcarbamoyl chloride;


Downtream information

5-tert-butyl-3-isocyanato-1,2-oxazole; 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea; 3-Amino-5-tert-butylisoxazole; 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-1-prop-2-enylurea; 3-tert-butylisoxazol-5(4H)-one; N-(3-tert-butylisoxazol-5-yl)-5-tert-butyl-3-aminoisoxazole; 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-ethyl-1-methylurea; 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-diethylurea; N-(5-tert-butyl-1,2-oxazol-3-yl)-2-chloroacetamide; isouron

 

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