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(1S,4S)-1-acetyl-3,3-dideuterio-4-methylcyclohexane is a complex organic compound with a molecular formula of C9D2H14O. It is a chiral molecule, meaning it has a non-superimposable mirror image, and it belongs to the class of cyclohexane derivatives. The compound features a cyclohexane ring with a methyl group at the 4-position, an acetyl group at the 1-position, and two deuterium atoms at the 3-position. The deuterium atoms replace the hydrogen atoms, making the compound heavier and potentially useful in various applications, such as in isotope labeling studies or as a tracer in chemical reactions. The specific stereochemistry at the 1 and 4 positions (1S,4S) indicates the three-dimensional arrangement of the atoms, which is crucial for understanding its physical and chemical properties.

73687-71-5

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73687-71-5 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 73687-71-5 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 1 respectively.
Calculate Digit Verification of CAS Registry Number 73687-71:
(7*7)+(6*3)+(5*6)+(4*8)+(3*7)+(2*7)+(1*1)=165
165 % 10 = 5
So 73687-71-5 is a valid CAS Registry Number.

73687-71-5Relevant 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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