CAS 1076198-54-3

2-[(4-Methoxyphenyl)methoxy]-1,1-dimethylethyl 4-nitrophenyl carbonate

Description:

2-[(4-Methoxyphenyl)methoxy]-1,1-dimethylethyl 4-nitrophenyl carbonate, identified by its CAS number 1076198-54-3, is an organic compound characterized by its complex structure, which includes a carbonate functional group. This substance features a tert-butyl group, which contributes to its steric hindrance, and a nitrophenyl moiety that may impart specific electronic properties, influencing its reactivity and potential applications. The presence of methoxy groups enhances its solubility in organic solvents and may affect its interaction with biological systems. Typically, compounds of this nature are studied for their potential use in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. The nitro group can also serve as a site for further chemical modifications, making it a versatile compound in synthetic chemistry. Safety data and handling precautions should be considered, as with any chemical substance, due to potential toxicity or reactivity. Overall, this compound exemplifies the intricate interplay of functional groups that dictate its chemical behavior and applications.

Formula: C₁₉H₂₁NO₇

InChI: InChI=1S/C19H21NO7/c1-19(2,13-25-12-14-4-8-16(24-3)9-5-14)27-18(21)26-17-10-6-15(7-11-17)20(22)23/h4-11H,12-13H2,1-3H3

InChI key: InChIKey=CZPBPKZDIHSKNY-UHFFFAOYSA-N

SMILES: O(C(OC(COCC1=CC=C(OC)C=C1)(C)C)=O)C2=CC=C(N(=O)=O)C=C2

2-[Methyl-1-(4-methoxyphenyl)methoxy]propyl-4’-nitrophenyl-d6 Carbonate

Controlled Product

CAS: 1076198-54-3

Applications 2-[Methyl-1-(4-methoxyphenyl)methoxy]propyl-4’-nitrophenyl-d6 Carbonate is an intermediate in the synthesis of Docetaxel Hydroxy tert-Butylcarbamate-d6 (D494427), which is the labeled analogue of Docetaxel Hydroxy tert-Butylcarbamate (D494425), the main metabolite of Docetaxel (D494420), an antineoplastic.
References Commercon, A., et al.: Tetrahedron, 50, 34, 10289 (1994)

Formula: C₁₉D₆H₁₅NO₇

Color and Shape: Neat

Molecular weight: 381.409

Ref: TR-M322067

2-[Methyl-1-(4-methoxyphenyl)methoxy]propyl-4’-nitrophenyl Carbonate

Controlled Product

CAS: 1076198-54-3

Formula: C₁₉H₂₁NO₇

Color and Shape: Neat

Molecular weight: 375.37

Ref: TR-M322065