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CAS No. : | 80689-35-6 | MDL No. : | MFCD04971829 |
Formula : | C9H8ClNS | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | DGUINEVXAOBICO-UHFFFAOYSA-N |
M.W : | 197.69 | Pubchem ID : | 2049878 |
Synonyms : |
|
Signal Word: | Warning | Class: | |
Precautionary Statements: | P264-P270-P280-P301+P312+P330-P305+P351+P338-P337+P313-P501 | UN#: | |
Hazard Statements: | H302-H319 | Packing Group: | |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In (+/-)-2-pentanol; acetonitrile at 200℃; for 0.166667h; Microwave irradiation; | 5 Description 5 : Ethyl 1 -(4,6-dimethyl-1 ,3-benzothiazol-2-yl)-3- piperidinecarboxylateA mixture of 2-chloro-5,6-dimethyl-1 ,3-benzothiazole (commercially available) (500mg, 2.50mmol) and ethyl 3-piperidinecarboxylate (commercially available) (582μΙ, 3.70mmol) in 2-pentanol:acetonitrile (4:1 v/v, 2ml) was heated in the microwave at 200°C for 10 minutes on high absorbance. The solvent of the mixture was then removed in vacuo. The resulting residue was dissolved in methanol and it was purified on a 5g SCX cartridge. The basic fractions were combined and the solvent was removed in vacuo to give the title compound as crude (760 mg, 95%). LCMS m/z (ES): 321 , 322 [M+H]+. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1.1: acetonitrile; (+/-)-2-pentanol / 0.17 h / 200 °C / Microwave irradiation 2.1: lithium hydroxide; methanol / tetrahydrofuran / 68 °C / Reflux 2.2: 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1.1: acetonitrile; (+/-)-2-pentanol / 0.17 h / 200 °C / Microwave irradiation 2.1: lithium hydroxide; methanol / tetrahydrofuran / 68 °C / Reflux 2.2: 20 °C 3.1: 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane; tetrahydrofuran / 20 °C / Inert atmosphere |
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