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CAS 705949-04-8

:

1,1-Dimethylethyl N-[(1R,2R,3S,5R)-2,6,6-trimethyl-3-[(methylamino)carbonyl]bicyclo[3.1.1]hept-2-yl]carbamate

Description:
1,1-Dimethylethyl N-[(1R,2R,3S,5R)-2,6,6-trimethyl-3-[(methylamino)carbonyl]bicyclo[3.1.1]hept-2-yl]carbamate, with CAS number 705949-04-8, is a chemical compound characterized by its complex bicyclic structure and functional groups. It features a carbamate moiety, which is indicative of its potential biological activity, particularly in medicinal chemistry. The presence of multiple methyl groups contributes to its steric bulk, influencing its solubility and reactivity. The stereochemistry, denoted by the (1R,2R,3S,5R) configuration, suggests specific spatial arrangements that can affect the compound's interaction with biological targets, such as enzymes or receptors. This compound may exhibit properties typical of carbamates, including potential neuroactive effects or applications in agriculture as a pesticide or herbicide. Its synthesis and characterization would involve standard organic chemistry techniques, including NMR and mass spectrometry, to confirm its structure and purity. Overall, this compound represents a unique blend of structural complexity and potential utility in various chemical applications.
Formula:C17H30N2O3
InChI:InChI=1S/C17H30N2O3/c1-15(2,3)22-14(21)19-17(6)11(13(20)18-7)8-10-9-12(17)16(10,4)5/h10-12H,8-9H2,1-7H3,(H,18,20)(H,19,21)/t10-,11+,12+,17-/m0/s1
InChI key:InChIKey=YYIOUIMMZRRKRK-AEMSQSNESA-N
SMILES:N(C(OC(C)(C)C)=O)[C@]1(C)[C@]2(C(C)(C)[C@](C2)(C[C@@H]1C(NC)=O)[H])[H]
Synonyms:
  • (1R,2R,3S,5R)-[2,6,6-Trimethyl-3-(methylcarbamoyl)bicyclo[3.1.3]hept-2-yl]carbamic acid tert-butylester
  • Carbamic acid, [(1R,2R,3S,5R)-2,6,6-trimethyl-3-[(methylamino)carbonyl]bicyclo[3.1.1]hept-2-yl]-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl N-[(1R,2R,3S,5R)-2,6,6-trimethyl-3-[(methylamino)carbonyl]bicyclo[3.1.1]hept-2-yl]carbamate
  • Carbamic acid, N-[(1R,2R,3S,5R)-2,6,6-trimethyl-3-[(methylamino)carbonyl]bicyclo[3.1.1]hept-2-yl]-, 1,1-dimethylethyl ester
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