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CAS 179686-77-2

:

Carbamic acid, [(1S,2R)-2-(hydroxymethyl)cyclohexyl]-, 1,1-dimethylethyl ester

Description:
Carbamic acid, [(1S,2R)-2-(hydroxymethyl)cyclohexyl]-, 1,1-dimethylethyl ester, identified by CAS number 179686-77-2, is an organic compound characterized by its carbamate functional group. This substance features a cyclohexyl ring with a hydroxymethyl substituent, contributing to its unique stereochemistry 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. Typically, carbamic acid derivatives exhibit moderate stability and can undergo hydrolysis under certain conditions, releasing the corresponding amine and carbon dioxide. The compound may have applications in pharmaceuticals or agrochemicals, given the structural motifs that often correlate with biological activity. Its stereochemistry, particularly the (1S,2R) configuration, may play a crucial role in its interaction with biological targets, affecting its efficacy and safety profile. As with many organic compounds, proper handling and safety measures are essential due to potential toxicity or reactivity.
Formula:C12H23NO3
InChI:InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-10-7-5-4-6-9(10)8-14/h9-10,14H,4-8H2,1-3H3,(H,13,15)/t9-,10-/m0/s1
InChI key:InChIKey=XUFBETUUQRMWRY-UWVGGRQHSA-N
SMILES:N(C(OC(C)(C)C)=O)[C@@H]1[C@H](CO)CCCC1
Synonyms:
  • Carbamic acid, [2-(hydroxymethyl)cyclohexyl]-, 1,1-dimethylethyl ester, cis-(+)-
  • Carbamic acid, [(1S,2R)-2-(hydroxymethyl)cyclohexyl]-, 1,1-dimethylethyl ester
  • Carbamic acid, [(1S,2R)-2-(hydroxymethyl)cyclohexyl]-, 1,1-dimethylethyl ester (9CI)
  • tert-Butyl ((1S,2R)-2-(hydroxymethyl)cyclohexyl)carbamate
  • BOC-(+/-)-CIS-2-HYDROXYMETHYL-1-CYCLOHEXYLAMINE
  • cis-(2-Hydroxymethyl-cyclohexyl)-carbamic acid tert-butyl ester
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