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1-Benzoyl-4-tert-butylpiperidine is a chemical compound with the molecular formula C16H25NO. It is a white crystalline solid that is derived from piperidine, a cyclic amine, by substituting a tert-butyl group at the 4-position and a benzoyl group at the 1-position. 1-benzoyl-4-tert-butylpiperidine is known for its potential applications in the synthesis of pharmaceuticals and other organic compounds, particularly in the development of drugs targeting the central nervous system. Its structure provides a balance of lipophilicity and steric hindrance, which can influence its interactions with biological targets. The compound is also of interest in the field of medicinal chemistry due to its potential to modulate receptor activity, making it a candidate for further research in drug discovery.

787-50-8

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787-50-8 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 787-50-8 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 7,8 and 7 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 787-50:
(5*7)+(4*8)+(3*7)+(2*5)+(1*0)=98
98 % 10 = 8
So 787-50-8 is a valid CAS Registry Number.

787-50-8Downstream Products

787-50-8Relevant academic research and scientific papers

Determination of the configuration in six-membered saturated heterocycles (N, P, S, Se) and their oxidation products using experimental and calculated NMR chemical shifts

Budesinsky, Milo?,Vaněk, Václav,Dra?ínsky, Martin,Pohl, Radek,Po?tová-Slavětínská, Lenka,Sychrovsky, Vladimír,Pícha, Jan,Císa?ová, Ivana

, p. 3871 - 3886 (2014/06/09)

The six-membered saturated heterocycles - 4-tert-butyl-1-methylpiperidine, 4-tert-butyl-1-methylphosphine, 4-tert-butyl-tetrahydro-2H-thiopyran, and 4-tert-butyl-tetrahydro-2H-selenopyran - were prepared as suitable model compounds with well-defined geometry for an NMR study of their oxidation products. The corresponding epimeric N-oxides, phosphinoxides, sulfoxides, and selenoxides were obtained by standard chemical preparation and also by in situ oxidation with meta-chloroperbenzoic acid directly in the NMR tube. The experimental 1H and 13C chemical shifts were compared with corresponding calculated data obtained by GIAO approach with DFT, MP2, and HF methods and various basis sets. The correlation of experimental versus calculated data showed the possibility to determine the stereochemistry of the epimeric oxidation products using fast DFT B3LYP/6-31G* method for both geometry optimization and NMR chemical shifts calculation.

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