CAS 1456616-44-6: 1,1-Dimethylethyl N-[(2S,3S)-2-(2,5-difluorophenyl)tetrahydro-5-oxo-2H-pyran-3-yl]carbamate

Description: 1,1-Dimethylethyl N-[(2S,3S)-2-(2,5-difluorophenyl)tetrahydro-5-oxo-2H-pyran-3-yl]carbamate, with the CAS number 1456616-44-6, is a chemical compound characterized by its complex structure, which includes a carbamate functional group and a tetrahydropyran ring. This compound features a dimethyl group attached to a tert-butyl group, contributing to its steric bulk. The presence of a difluorophenyl moiety enhances its lipophilicity and may influence its biological activity. The stereochemistry indicated by the (2S,3S) configuration suggests specific spatial arrangements that can affect the compound's interactions with biological targets. Typically, compounds of this nature are studied for their potential pharmaceutical applications, particularly in the development of therapeutics. The stability, solubility, and reactivity of this compound can be influenced by its functional groups and overall molecular architecture, making it a subject of interest in medicinal chemistry and drug design.

Formula: C₁₆H₁₉F₂NO₄

InChI: InChI=1S/C16H19F2NO4/c1-16(2,3)23-15(21)19-13-7-10(20)8-22-14(13)11-6-9(17)4-5-12(11)18/h4-6,13-14H,7-8H2,1-3H3,(H,19,21)/t13-,14-/m0/s1

InChI key: InChIKey=OTCULXVRRSCLLI-KBPBESRZSA-N

SMILES: O=C(OC(C)(C)C)NC1CC(=O)COC1C2=CC(F)=CC=C2F

Synonyms:

• Carbamic acid, N-[(2S,3S)-2-(2,5-difluorophenyl)tetrahydro-5-oxo-2H-pyran-3-yl]-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl N-[(2S,3S)-2-(2,5-difluorophenyl)tetrahydro-5-oxo-2H-pyran-3-yl]carbamate

Omarigliptin Impurity 7

CAS: 1456616-44-6

• Formula: C₁₆H₁₉F₂NO₄
• Molecular weight: 327.33

N-​[(2S,​3S)​-​2-​(2,​5-Difluorophenyl)​tetrahydro-​5-​oxo-​2H-​pyran-​3-​yl]​carbamic acid​, 1,​1-Ddimethylethyl Ester

CAS: 1456616-44-6

• Formula: C₁₆H₁₉F₂NO₄
• Color and Shape: Neat
• Molecular weight: 327.323

N-[(2S,3S)-2-(2,5-Difluorophenyl)tetrahydro-5-oxo-2H-pyran-3-yl]carbamic acid 1,1-dimethylethyl ester

CAS: 1456616-44-6

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• Formula: C₁₆H₁₉F₂NO₄
• Purity: Min. 95%
• Molecular weight: 327.32 g/mol