1H-1,4-diazepine-1-carboxylic acid, hexahydro-5-oxo-, 1,1-
1-N-Boc-5-oxo-1,4-diazepane
CAS: 190900-21-1
Molecular Formula: C10H18N2O3
1H-1,4-diazepine-1-carboxylic acid, hexahydro-5-oxo-, 1,1- - Names and Identifiers
| Name | 1-N-Boc-5-oxo-1,4-diazepane |
| Synonyms | 1-Boc-1,4-diazepan-5-one N1-BOC-5-oxo-1,4-diazepane 1-N-Boc-5-oxo-1,4-Diazepane 1-N-Boc-5-oxo-1,4-diazepane 1,4-Diazepan-5-one, N1-Boc protected Homopiperazin-5-one, N1-BOC protected tert-Butyl-5-oxo-1,4-diazepan-1-carboxylat tert-butyl 5-oxo-1,4-diazepane-1-carboxylate 5-Oxo-[1,4]diazepane-1-carboxylic acid tert-butyl ester 1H-1,4-diazepine-1-carboxylic acid, hexahydro-5-oxo-, 1,1- |
| CAS | 190900-21-1 |
| InChI | InChI=1/C10H18N2O3/c1-10(2,3)15-9(14)12-6-4-8(13)11-5-7-12/h4-7H2,1-3H3,(H,11,13) |
1H-1,4-diazepine-1-carboxylic acid, hexahydro-5-oxo-, 1,1- - Physico-chemical Properties
| Molecular Formula | C10H18N2O3 |
| Molar Mass | 214.26 |
| Density | 1.098±0.06 g/cm3(Predicted) |
| Boling Point | 373.1±35.0 °C(Predicted) |
| Flash Point | 179.417°C |
| Vapor Presure | 0mmHg at 25°C |
| pKa | 16.06±0.20(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.475 |
1H-1,4-diazepine-1-carboxylic acid, hexahydro-5-oxo-, 1,1- - Risk and Safety
| Hazard Class | IRRITANT |
1H-1,4-diazepine-1-carboxylic acid, hexahydro-5-oxo-, 1,1- - Introduction
1-N-Boc-5-oxo-1,4-diazepane is an organic compound commonly abbreviated as Boc-DHHA. Its chemical formula is C12H21NO2 and its molecular weight is 207.30g/mol.
Nature:
Boc-DHHA is a white to off-white solid, soluble in organic solvents such as dimethylformamide (DMF) and ethyl formate (EtOAc), and slightly soluble in water. It is a stable compound that does not easily decompose at room temperature.
Use:
Boc-DHHA are commonly used intermediates in organic synthesis. It can be used to prepare biologically active compounds, such as drugs, hormones, natural products, etc. By deprotecting the group (deboc group),Boc-DHHA can be converted to other organic compounds.
Method:
A common method for the preparation of Boc-DHHA is through a carbon dioxide insertion reaction. Typically, 2-oxazolecarboxamide (Boc-NHNH2) is introduced into cycloheptanone and then reacted with sodium hydride and sodium carbonate at elevated temperature to form Boc-DHHA.
Safety Information:
Boc-DHHA are low-toxic compounds under normal conditions, but they still need to follow the regular practice of chemicals. It may burn at high temperatures or in contact with open flames, so it needs to be stored in a dry, cool place, away from fire sources and oxidants. At the same time, wear appropriate personal protective equipment, such as laboratory gloves and goggles, to prevent contact with skin or eyes during use.
Nature:
Boc-DHHA is a white to off-white solid, soluble in organic solvents such as dimethylformamide (DMF) and ethyl formate (EtOAc), and slightly soluble in water. It is a stable compound that does not easily decompose at room temperature.
Use:
Boc-DHHA are commonly used intermediates in organic synthesis. It can be used to prepare biologically active compounds, such as drugs, hormones, natural products, etc. By deprotecting the group (deboc group),Boc-DHHA can be converted to other organic compounds.
Method:
A common method for the preparation of Boc-DHHA is through a carbon dioxide insertion reaction. Typically, 2-oxazolecarboxamide (Boc-NHNH2) is introduced into cycloheptanone and then reacted with sodium hydride and sodium carbonate at elevated temperature to form Boc-DHHA.
Safety Information:
Boc-DHHA are low-toxic compounds under normal conditions, but they still need to follow the regular practice of chemicals. It may burn at high temperatures or in contact with open flames, so it needs to be stored in a dry, cool place, away from fire sources and oxidants. At the same time, wear appropriate personal protective equipment, such as laboratory gloves and goggles, to prevent contact with skin or eyes during use.
Last Update：2024-04-09 21:11:58
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CAS: 190900-21-1
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CAS: 190900-21-1
Tel: 18301782025
Email: 3008007409@qq.com
Mobile: 18021002903
QQ: 3008007409
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