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(1S,4S)-1-acetyl-2,2,3,3,4-pentadeuterio-4-methylcyclohexane is a complex organic compound with a unique molecular structure. It consists of a cyclohexane ring, which is a six-carbon ring with alternating single and double bonds, and a methyl group attached to the fourth carbon. The compound also features an acetyl group (a two-carbon unit with a carbonyl group) attached to the first carbon of the ring. The numbering of the carbons in the ring is such that the acetyl group is on the first carbon, and the methyl group is on the fourth carbon. The compound is labeled with "1S,4S" to indicate the specific stereochemistry at these positions, with "S" denoting the clockwise orientation when viewed from the perspective of the highest priority group. Additionally, the compound contains deuterium atoms (heavy hydrogen) at the second, third, and fourth positions of the cyclohexane ring, which替换了 the standard hydrogen atoms, making it a deuterated compound. This substitution can affect the compound's physical and chemical properties, such as its boiling point and reactivity.

73687-72-6

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73687-72-6 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 73687-72-6 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 2 respectively.
Calculate Digit Verification of CAS Registry Number 73687-72:
(7*7)+(6*3)+(5*6)+(4*8)+(3*7)+(2*7)+(1*2)=166
166 % 10 = 6
So 73687-72-6 is a valid CAS Registry Number.

73687-72-6Relevant 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 (1980)

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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