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(1S,4S)-1-isopropenyl-2,2,3,3,4-pentadeuterio-4-methylcyclohexane is a complex organic compound with a unique molecular structure. It consists of a cyclohexane ring with a methyl group attached to the 4th carbon atom, an isopropenyl group (a propene with an additional methyl group) attached to the 1st carbon atom, and five deuterium atoms (heavy hydrogen) replacing five hydrogen atoms in the molecule. The compound is a chiral molecule, meaning it has a non-superimposable mirror image, and it is specified as the (1S,4S) enantiomer, indicating the specific arrangement of atoms in three-dimensional space. (1S,4S)-1-isopropenyl-2,2,3,3,4-pentadeuterio-4-methylcyclohexane is primarily of interest in the field of organic chemistry, particularly in the study of stereochemistry and the synthesis of complex organic molecules.

73687-70-4

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73687-70-4 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 73687-70-4 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 0 respectively.
Calculate Digit Verification of CAS Registry Number 73687-70:
(7*7)+(6*3)+(5*6)+(4*8)+(3*7)+(2*7)+(1*0)=164
164 % 10 = 4
So 73687-70-4 is a valid CAS Registry Number.

73687-70-4Relevant 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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