CAS 87694-55-1

1,1-Dimethylethyl N-[(1S,2S)-1-formyl-2-methylbutyl]carbamate

Description:

1,1-Dimethylethyl N-[(1S,2S)-1-formyl-2-methylbutyl]carbamate, with CAS number 87694-55-1, is an organic compound characterized by its carbamate functional group. This substance features a tert-butyl group, which contributes to its steric bulk, and a chiral center, indicating that it can exist in different stereoisomeric forms. The presence of the formyl group suggests that it can participate in various chemical reactions, including nucleophilic additions and condensation reactions. Its structure implies potential applications in organic synthesis, particularly in the development of pharmaceuticals or agrochemicals. The compound's solubility, stability, and reactivity would depend on the specific conditions, such as solvent and temperature. Additionally, due to the presence of both hydrophobic and polar functional groups, it may exhibit interesting properties in biological systems or as a ligand in coordination chemistry. Safety and handling precautions should be observed, as with any chemical substance, to mitigate risks associated with exposure or reactivity.

Formula: C₁₁H₂₁NO₃

InChI: InChI=1S/C11H21NO3/c1-6-8(2)9(7-13)12-10(14)15-11(3,4)5/h7-9H,6H2,1-5H3,(H,12,14)/t8-,9+/m0/s1

InChI key: InChIKey=YJAAJMSZVZJPOQ-DTWKUNHWSA-N

SMILES: [C@@H]([C@H](CC)C)(NC(OC(C)(C)C)=O)C=O

Synonyms:

• Carbamic acid, (1-formyl-2-methylbutyl)-, 1,1-dimethylethyl ester, [S-(R*,R*)]-
• BOC-Isoleucinal
• Carbamic acid, N-[(1S,2S)-1-formyl-2-methylbutyl]-, 1,1-dimethylethyl ester
• Carbamic acid, [(1S,2S)-1-formyl-2-methylbutyl]-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl N-[(1S,2S)-1-formyl-2-methylbutyl]carbamate