Carbamic acid, (5-amino-1,2-benzisoxazol-3-yl)-, 1,1-dimethylethyl ester (9CI) - Names and Identifiers
Name | tert-Butyl (5-amino-1,2-benzoxazol-3-yl)carbamate
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Synonyms | LogP tert-butyl 5-amino-1,2-benzisoxazol-3-ylcarbamate tert-Butyl (5-amino-1,2-benzoxazol-3-yl)carbamate tert-Butyl (5-aMinobenzo[d]isoxazol-3-yl)carbaMate (5-AMinobenzoisoxazol-3-yl)carbaMic acid tert-butyl ester (5-AMINOBENZO[D]ISOXAZOL-3-YL)CARBAMIC ACID TERT-BUTYL ESTER CarbaMic acid, (5-aMino-1,2-benzisoxazol-3-yl)-, 1,1-diMethylethyl ester Carbamic acid, (5-amino-1,2-benzisoxazol-3-yl)-, 1,1-dimethylethyl ester (9CI)
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CAS | 380629-73-2
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InChI | InChI=1/C12H15N3O3/c1-12(2,3)17-11(16)14-10-8-6-7(13)4-5-9(8)18-15-10/h4-6H,13H2,1-3H3,(H,14,15,16) |
Carbamic acid, (5-amino-1,2-benzisoxazol-3-yl)-, 1,1-dimethylethyl ester (9CI) - Physico-chemical Properties
Molecular Formula | C12H15N3O3
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Molar Mass | 249.27 |
Density | 1.306±0.06 g/cm3(Predicted) |
Boling Point | 384.7±22.0 °C(Predicted) |
Flash Point | 186.4°C |
Vapor Presure | 4.02E-06mmHg at 25°C |
pKa | 11.73±0.43(Predicted) |
Storage Condition | under inert gas (nitrogen or Argon) at 2–8 °C |
Refractive Index | 1.638 |
Carbamic acid, (5-amino-1,2-benzisoxazol-3-yl)-, 1,1-dimethylethyl ester (9CI) - Introduction
tert-Butyl (5-amino-1,2-benzoxazol-3-yl)carbamate (also known as tert-Butyl -1,2-benzoxazol-3-yl)carbamate) is an organic compound. The following is a detailed description of its nature, use, formulation and safety information:
Nature:
-Appearance: White solid
-Molecular formula: C12H16N2O3
-Molecular weight: 236.27g/mol
-Melting point: 117-119°C
-Boiling point: 460.1°C
-Solubility: Soluble in a variety of organic solvents, such as ethanol and dimethylformamide (DMF)
-Stability: The compound is relatively stable under normal storage conditions.
Use:
tert-Butyl (5-amino-1,2-benzoxazol-3-yl)carbamate is often used as an intermediate in organic synthesis. It can be used in the synthesis of other organic compounds, such as pharmaceuticals and dyes. It can also be used as a bactericide, desulfurizer and antioxidant.
Preparation Method:
tert-Butyl (5-amino-1,2-benzoxazol-3-yl)carbamate can be synthesized by the following steps:
1. Synthesis of 5-chloro-1, 2-benzoxazole:
-Take 1,2-benzo (D) isoxazole and thionyl chloride to react to obtain 5-chloro-1, 2-benzoxazole.
2. Synthesis of 5-aminobenzo [D] isoxazole:
-5-chloro-1, 2-benzoxazole is reacted with ammonia water under alkaline conditions to obtain 5-aminobenzo [D] isoxazole.
3. The reaction produces the final product:
-React 5-aminobenzo [D] isoxazole with tert-butyryl chloride, and then with tert-butanol to form tert-Butyl (5-amino-1,2-benzoxazol-3-yl)carbamate.
Safety Information:
When manipulating and using tert-Butyl (5-amino-1,2-benzoxazol-3-yl)carbamate, general laboratory safety practices should be followed. It can be irritating and toxic, so wear appropriate personal protective equipment such as gloves and goggles. Care should be taken to avoid contact with skin, eyes and inhalation of gases or dust. If accidental contact occurs, immediately flush the affected area with water and seek medical help.
Last Update:2024-04-09 20:49:11