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(1S,4S)-1-acetoxy-2,2,3,3,4-pentadeuterio-4-methylcyclohexane is a complex organic compound with a molecular formula of C9D5O2. It is a stereoisomer, specifically a chiral molecule, with the 1 and 4 positions being in the S configuration. The compound features a cyclohexane ring with a methyl group at the 4 position, and an acetoxy group at the 1 position. The presence of deuterium (D) in the molecule, replacing five hydrogen atoms, makes it a deuterated compound. Deuterium is a stable isotope of hydrogen, which can be used in various applications, such as in NMR spectroscopy to enhance the signal or in chemical reactions to study reaction mechanisms. The acetoxy group indicates the presence of an ester functional group, which can be hydrolyzed to yield an alcohol and acetic acid. (1S,4S)-1-acetoxy-2,2,3,3,4-pentadeuterio-4-methylcyclohexane can be used in organic synthesis, as a reference material in spectroscopic studies, or as a precursor in the preparation of other deuterated organic compounds.

73687-74-8

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73687-74-8 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 73687-74-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,3,6,8 and 7 respectively; the second part has 2 digits, 7 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 73687-74:
(7*7)+(6*3)+(5*6)+(4*8)+(3*7)+(2*7)+(1*4)=168
168 % 10 = 8
So 73687-74-8 is a valid CAS Registry Number.

73687-74-8Relevant academic research and scientific papers

Optical Rotatory Dispersion Studies. 130. Additivity of Deuterium Octant Contributions in Cyclohexanone

Edgar, Mark T.,Barth, Guenther,Djerassi, Carl

, p. 2680 - 2684 (2007/10/02)

A comparison between the circular dichroism spectra of (4S)-3,3-dideuterio-4-methylcyclohexanone (1), (3R,4R)-3-deuterio-4-tert-butylcyclohexanone (2) and (3S,4R)-3-deuterio-4-tert-butylcyclohexanone (3) leads to the conclusion that the octant contributions of deuterium in the β-equatorial and β-axial positions of the cyclohexanone ring are additive.From the temperature-dependent circular dichroism spectra of 1 an energy difference of -1.1 kcal/mol was obtained for the conformations with the 4-methyl substituent in the axial and equatorial position, respectively.

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