1209-61-6 Usage
Uses
Used in Stereochemistry Research:
4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.04,6]dodecane is used as a model compound for studying stereochemistry and molecular interactions. Its unique molecular structure and significant steric hindrance make it an ideal candidate for understanding the spatial arrangement of atoms and the effects of molecular geometry on chemical reactions.
Used in Industrial Applications:
Due to its high boiling point and low solubility in water, 4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.04,6]dodecane is used in various industrial applications where specific physical and chemical properties are required. These applications may include the development of new materials, catalysts, or as intermediates in the synthesis of other complex organic compounds.
Used in Pharmaceutical Research:
4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.04,6]dodecane can be used in pharmaceutical research as a starting material or intermediate in the synthesis of potential drug candidates. Its unique structure and properties may contribute to the development of new therapeutic agents with novel mechanisms of action.
Used in Chemical Education:
As a complex and intriguing molecule, 4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.04,6]dodecane can be used in chemical education to teach students about the importance of molecular geometry, stereochemistry, and the relationship between structure and function in organic chemistry.
Check Digit Verification of cas no
The CAS Registry Mumber 1209-61-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,2,0 and 9 respectively; the second part has 2 digits, 6 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 1209-61:
(6*1)+(5*2)+(4*0)+(3*9)+(2*6)+(1*1)=56
56 % 10 = 6
So 1209-61-6 is a valid CAS Registry Number.
InChI:InChI=1/C15H26O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h10-13H,5-9H2,1-4H3
1209-61-6Relevant academic research and scientific papers
USE OF MOLECULAR MECHANICS CALCULATIONS AND VARIOUS NMR SPECTROSCOPIC METHODS TO DETERMINE CONFIGURATION AND CONFORMATION IN A SOLUTION OF DIHYDROCARYOPHYLLENE EPOXIDE
Tkachev, A. V.,Toropov, O. V.,Sal'nikov, G. E.,Gatilov, Yu. V.,Bagryanskaya, I. Yu.
, p. 220 - 227 (2007/10/02)
For the case of dihydrocaryophyllene epoxide it was shown that molecular mechanics can be used in conjunction with various NMR spectroscopic methods for the determination of the configuration and conformation in solutions of compounds containing medium-sized rings.The essential features of the demonstrated approach are as follows: 1) The use of fragment-by-fragment conformational analysis to narrow the range of calculated structutes; 2) optimization of the geometry of the selected structutes by molecular mechanics; 3) calculation of the parameters of the 1H NMR spectra (the spin-spin coupling constants, the chemical shifts induced by additions of shift reagents) from the refined molecular geometry and comparison with the experimental parameters.Such a sequence of procedures made it possible to determine the configuration of the secondary methyl group and the conformation of the ninemembered ring in the molecule of dihydrocaryophyllene epoxide.The obtained configuration and conformation corresopond to the data from x-ray crystallographic analysis.
