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CAS 1657033-38-9

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Carbamic acid, N-[(1R,3S)-3-(bromomethyl)cyclohexyl]-, 1,1-dimethylethyl ester, rel-

Description:
Carbamic acid, N-[(1R,3S)-3-(bromomethyl)cyclohexyl]-, 1,1-dimethylethyl ester, with CAS number 1657033-38-9, is a chemical compound characterized by its carbamate functional group, which is derived from carbamic acid. This compound features a cyclohexyl ring substituted with a bromomethyl group, contributing to its unique reactivity and potential biological activity. The presence of the tert-butyl ester group enhances its lipophilicity, which may influence its solubility and permeability in biological systems. The stereochemistry indicated by the (1R,3S) configuration suggests specific spatial arrangements of atoms, which can significantly affect the compound's interaction with biological targets. Such compounds are often studied for their potential applications in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. The bromine atom may also impart specific properties, such as increased reactivity or the ability to participate in further chemical transformations. Overall, this compound exemplifies the complexity and diversity of organic molecules, particularly in the context of medicinal chemistry and synthetic applications.
Formula:C12H22BrNO2
InChI:InChI=1/C12H22BrNO2/c1-12(2,3)16-11(15)14-10-6-4-5-9(7-10)8-13/h9-10H,4-8H2,1-3H3,(H,14,15)/t9-,10+/s2
InChI key:InChIKey=XJDUGNDNCQMMBK-NLJMKPLXNA-N
SMILES:N(C(OC(C)(C)C)=O)[C@@H]1C[C@H](CBr)CCC1
Synonyms:
  • Carbamic acid, N-[(1R,3S)-3-(bromomethyl)cyclohexyl]-, 1,1-dimethylethyl ester, rel-
  • tert-Butyl (cis-3-(bromomethyl)cyclohexyl)carbamate
  • XJDUGNDNCQMMBK-ZJUUUORDSA-N
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