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(1S,4S)-1-acetoxy-3,3-dideuterio-4-methylcyclohexane is a complex organic compound with a molecular formula of C9H16DO2. It is a chiral molecule, meaning it has a non-superimposable mirror image, and it is characterized by its specific stereochemistry, with the 1 and 4 positions being in the S configuration. The compound features a cyclohexane ring, which is a six-carbon ring structure, with a methyl group at the 4 position and an acetoxy group at the 1 position. The term "dideuterio" indicates that two hydrogen atoms in the molecule have been replaced by deuterium atoms, an isotope of hydrogen with one neutron and one proton. This substitution can affect the compound's physical and chemical properties, such as its boiling point, reactivity, and spectroscopic behavior. The acetoxy group suggests that the compound has an ester functional group, which can participate in various chemical reactions, such as hydrolysis or transesterification. (1S,4S)-1-acetoxy-3,3-dideuterio-4-methylcyclohexane may be used in organic synthesis, as a chiral building block, or in studies involving isotope effects on chemical reactions.

73687-73-7

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73687-73-7 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 73687-73-7 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 3 respectively.
Calculate Digit Verification of CAS Registry Number 73687-73:
(7*7)+(6*3)+(5*6)+(4*8)+(3*7)+(2*7)+(1*3)=167
167 % 10 = 7
So 73687-73-7 is a valid CAS Registry Number.

73687-73-7Relevant 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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