1-(4-Nitrobenzyloxycarbonyl)benzotriazole
- Product Name
- 1-(4-Nitrobenzyloxycarbonyl)benzotriazole
- CAS No.
- 86832-06-6
- Chemical Name
- 1-(4-Nitrobenzyloxycarbonyl)benzotriazole
- Synonyms
- Nitrobenzyloxycarbonyl)benzotriazole;1-(4-Nitrobenzyloxycarbonyl)benzotriazole;1-{[(p-nitrobenzyl)oxy]carbonyl}-1H-benzotriazole;4-Nitrobenzyl 1H-benzo[d][1,2,3]triazole-1-carboxylate;1H-Benzotriazole-1-carboxylic acid, (4-nitrophenyl)methyl ester
- CBNumber
- CB83119369
- Molecular Formula
- C14H10N4O4
- Formula Weight
- 298.25
- MOL File
- 86832-06-6.mol
1-(4-Nitrobenzyloxycarbonyl)benzotriazole Property
- Melting point:
- 160-162 °C(Solv: ethyl ether (60-29-7))
- Boiling point:
- 518.4±52.0 °C(Predicted)
- Density
- 1.47±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- -0.68±0.30(Predicted)
- InChI
- InChI=1S/C14H10N4O4/c19-14(17-13-4-2-1-3-12(13)15-16-17)22-9-10-5-7-11(8-6-10)18(20)21/h1-8H,9H2
- InChIKey
- MKIHFLQNZUDOQW-UHFFFAOYSA-N
- SMILES
- N1(C(OCC2=CC=C([N+]([O-])=O)C=C2)=O)C2=CC=CC=C2N=N1
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.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- CD11040697
- Product name
- 4-Nitrobenzyl1H-benzo[d][1,2,3]triazole-1-carboxylate
- Purity
- 97%
- Packaging
- 5g
- Price
- $99
- Updated
- 2021/12/16
- Product number
- A184229
- Product name
- 4-Nitrobenzyl1H-benzo[d][1,2,3]triazole-1-carboxylate
- Purity
- 97%
- Packaging
- 5g
- Price
- $100
- Updated
- 2021/12/16
- Product number
- AA01EEYJ
- Product name
- 4-Nitrobenzyl1H-benzo[d][1,2,3]triazole-1-carboxylate
- Purity
- 97%
- Packaging
- 5g
- Price
- $145
- Updated
- 2021/12/16
- Product number
- CD11040697
- Product name
- 4-Nitrobenzyl1H-benzo[d][1,2,3]triazole-1-carboxylate
- Purity
- 97%
- Packaging
- 10g
- Price
- $158
- Updated
- 2021/12/16
- Product number
- AA01EEYJ
- Product name
- 4-Nitrobenzyl1H-benzo[d][1,2,3]triazole-1-carboxylate
- Purity
- 97%
- Packaging
- 10g
- Price
- $208
- Updated
- 2021/12/16
1-(4-Nitrobenzyloxycarbonyl)benzotriazole Chemical Properties,Usage,Production
Synthesis
95-14-7
4457-32-3
86832-06-6
General procedure for the synthesis of 1-(4-nitrobenzyloxycarbonyl)benzotriazole from benzotriazole and p-nitrobenzyl chloroformate: - P-nitrobenzyl chloroformate (0.5 mmol) was dissolved in 5 mL of dichloromethane, triethylamine (2 mmol) was added as a base followed by benzotriazole (0.5 mmol). - The reaction mixture was stirred at room temperature overnight. After completion of the reaction, the reaction solution was diluted with 20 mL of dichloromethane and washed sequentially with 3 x 5 mL of 1N hydrochloric acid, 2 x 5 mL of 1N sodium hydroxide solution and 1 x 5 mL of saturated saline. - The organic phase was separated, dried with anhydrous sodium sulfate, filtered and concentrated under reduced pressure to remove the solvent. - The residue was ground with ether to give a light yellow solid product in 59% yield with a melting point of 160-162 °C. The structure of the product was confirmed by NMR. - The structure of the product was confirmed by nuclear magnetic resonance hydrogen spectroscopy (1H NMR), nuclear magnetic resonance carbon spectroscopy (13C NMR) and high resolution mass spectrometry (HRMS): 1H NMR (CDCl3) δ 8.27 (d, 1H, J = 8.9 Hz), 8.17 (m, 3H), 7.72 (d, 1H, J = 8.9 Hz), 7.65 (td, 1H, J = 8.3 Hz, 1.1 Hz), 7.53 (m, 2H), 5.26 (s, 2H). 13C NMR (CDCl3) δ 154.84, 146.17, 142.27, 141.30, 132.01, 130.82, 128.78, 126.37, 124.16, 120.86, 113.58, 68.66. HRMS (FAB) calculated value C14H11N4O4 ([M+H]+): 299.0775, measured value: 297.0775.
References
[1] Journal of Organic Chemistry, 2008, vol. 73, # 15, p. 5766 - 5775
[2] Patent: WO2008/144933, 2008, A1. Location in patent: Page/Page column 71
1-(4-Nitrobenzyloxycarbonyl)benzotriazole Preparation Products And Raw materials
Raw materials
Preparation Products
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