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Chemical Structure| 227940-72-9 Chemical Structure| 227940-72-9

Structure of 227940-72-9

Chemical Structure| 227940-72-9

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Product Details of [ 227940-72-9 ]

CAS No. :227940-72-9
Formula : C12H22N2O2
M.W : 226.32
SMILES Code : O=C(N1CC(C2)CNCC2C1)OC(C)(C)C
MDL No. :MFCD17016673
InChI Key :ZFVNQMTWYYKBES-UHFFFAOYSA-N
Pubchem ID :22490264

Safety of [ 227940-72-9 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 227940-72-9 ]

* 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 [ 227940-72-9 ]

[ 227940-72-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 3101-60-8 ]
  • [ 227940-72-9 ]
  • tert-Butyl 7-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-3,7-diazabicyclo-[3.3.1nonane-3-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
7% In water; isopropyl alcohol; (b) tert-Butyl 7-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate A mixture of tert-butyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate (2.2 g; 9.70 mmol; see Example F above) and <strong>[3101-60-8]4-tert-butyl-1-(2-oxiranylmethoxy)benzene</strong> (2.0 g; 9.70 mmol; from step (a) above) in 2-propanol (10 mL) and water (1 mL) was stirred at 60° C. for 18 h. The reaction mixture was concentrated to give an oil which was dissolved in hexanes and allowed to stand until solids formed. The solids were collected and dried to give the desired product (0.28 g; 7percent) as a white solid. mp 75-77° C.; 1H NMR (CDCl3): delta 1.32 (s, 9H), 1.47 (s, 9H), 1.62-1.78 (m, 2H), 1.79-1.96 (m, 2H), 2.13-2.38 (m, 2H), 2.42-2.57 (m, 2H), 2.87-3.25 (m, 4H), 3.82-4.30 (m, 5H), 6.86 (d, 2H), 7.31 (d, 2H); 13C NMR (CDCl3): delta 28.9, 29.1, 29.4, 29.7, 31.3, 31.7, 32.1, 34.3, 47.9, 48.1, 48.9, 49.6, 57.4, 58.1, 60.6, 61.9, 62.5, 65.5, 65.9, 70.7, 77.4, 79.7, 114.3, 126.4, 143.6, 155.8, 156.2, 156.8; CI-MS (M+1)+433 (m/z).
 

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