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Chemical Structure| 91965-21-8 Chemical Structure| 91965-21-8

Structure of 91965-21-8

Chemical Structure| 91965-21-8

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Product Details of [ 91965-21-8 ]

CAS No. :91965-21-8
Formula : C11H18O2
M.W : 182.26
SMILES Code : O=C(C1(C2)CCCC2(C)CCC1)O
MDL No. :MFCD00497987
InChI Key :YIKIESMRPJSYAY-UHFFFAOYSA-N
Pubchem ID :727236

Safety of [ 91965-21-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 91965-21-8 ]

* 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.

  • Downstream synthetic route of [ 91965-21-8 ]

[ 91965-21-8 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 777-12-8 ]
  • [ 91965-21-8 ]
  • 5-methyl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[3.3.1]nonane-1-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
General procedure: Carboxylic acid 3 (0.2 mmol, 1 equiv.) and HATU (0.2 mmol, 1 equiv.) were dissolved in 1 mL DCE in a one dram vial charged with a stir bar. DIPEA (0.1 mL, 0.6 mmol, 3 equiv.) was added and the resulting solution was stirred at RT for 10 minutes. Amine 2 (0.2 mmol, 1 equiv.) was added to the mixture. The reaction solution was heated to 45 C and stirred overnight. Upon completion the reaction mixture was condensed and loaded onto a 60g C-18 cartridge and purified over a gradient of 5-95% ACN/H2O. The fractions containing product were identified by LC-MS and condensed under vacuum to give the final product 4. The final product was characterized by NMR.
  • 2
  • [ 20358-03-6 ]
  • [ 91965-21-8 ]
  • N-(5-bromo-1,3-benzothiazol-2-yl)-5-methylbicyclo[3.3.1]nonane-1-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
General procedure: Carboxylic acid 3 (0.2 mmol, 1 equiv.) and HATU (0.2 mmol, 1 equiv.) were dissolved in 1 mL DCE in a one dram vial charged with a stir bar. DIPEA (0.1 mL, 0.6 mmol, 3 equiv.) was added and the resulting solution was stirred at RT for 10 minutes. Amine 2 (0.2 mmol, 1 equiv.) was added to the mixture. The reaction solution was heated to 45 C and stirred overnight. Upon completion the reaction mixture was condensed and loaded onto a 60g C-18 cartridge and purified over a gradient of 5-95% ACN/H2O. The fractions containing product were identified by LC-MS and condensed under vacuum to give the final product 4. The final product was characterized by NMR.
 

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