40202-09-3

Usage

Uses

Used in Pharmaceutical Industry:
1,1-Dichloroethane-d4 is used as a chemical solvent for the preparation of precursors of quinolizine, isoquinoline, and indole alkaloids. These alkaloids are important in the pharmaceutical industry as they serve as the basis for the synthesis of various drugs with diverse therapeutic applications, such as antiarrhythmic, antihypertensive, and antipsychotic medications.
Used in Chemical Industry:
In the chemical industry, 1,1-Dichloroethane-d4 is utilized as a solvent for various chemical reactions due to its ability to dissolve a wide range of compounds. Its deuterated nature also makes it a valuable tool in studying reaction mechanisms and kinetics, as it can provide insights into the role of hydrogen bonding and other interactions in the reaction process.
Used in Research and Development:
1,1-Dichloroethane-d4 is employed as a research tool in the field of organic chemistry, particularly in the synthesis and study of deuterated compounds. The use of deuterated solvents can help researchers understand the effects of isotopic substitution on reaction rates, equilibria, and other properties, which can be crucial in the development of new drugs and materials.

Upstream product

• 19199-91-8 chloro-pentadeuterio-ethane 
• 1632-89-9 acetaldehyde-d4 

Relevant academic research and scientific papers

Assignments of the infrared and raman spectra of the Os2(μ2-CHCH3) group of [(μ2-CHCH3)Os2(CO)8] and of its d1 and d4 isotopologues as models for the spectra of such ethylidene groups on metal surfaces

Procedures are described for the preparation of the d1 (CDCH3) and d4 isotopologues of [(μ2-CHCH3)-Os2(CO)8] (1). Infrared and Raman spectra for the d0, d1, and d4 molecules are analyzed, in comparison with those of CH3CHCl2 and its deuterium-containing species, in order to characterize the vibrational spectrum of an ethylidene group bonded to metal atoms. Taking into account the effects of the metal-surface selection rule for species adsorbed on metal surfaces, a comparison is made between the interpreted spectra of 1 and a number of vibrational spectra in the literature which may reflect the presence of ethylidene groups. These include electron energy loss spectra (EELS) near 300 K from ethene adsorbed on Pt(111) with coadsorbed potassium or oxygen, and a vibrational inelastic tunneling spectrum (IETS) obtained by hydrogen reduction of CO adsorbed on Rh/Al2O3. Taking into account the limited resolution of the EELS data, the spectra on Pt(111)/K and Pt(111)/O can reasonably be attributed to the ethylidene surface species. A more definitive structural assignment requires higher resolution spectra from the adsorbed species. The agreement between the infrared spectrum of 1 and the IETS spectrum on Rh/Al2O3 is particularly good.

Photochlorination of Chloroethane and Chloroethane-d5

The hydrogen/deuterium abstraction from C2H5Cl and C2D5Cl by ground-state chlorine atoms has been investigated between 8 and 94 deg C.Results from the internal competition in chloroethane and chloroethane-d5 combined with the results of external competition with CH4 as the reference reaction have yielded rate constant data for the following reactions: CH3CH2Cl + Cl -> CH3CHCl + HCl, k2s; CH3CH2Cl + Cl -> CH2CH2Cl + HCl, k2p; CD3CD2Cl + Cl -> CD3CDCl + DCl, k2s,D; CD3CDCl + Cl -> CD2CD2Cl + DCl, k2p,D.The temperature dependence of the rate constants (cm3s-1) is given by k2s = (1.43 +/- 0.29) X 1E-11 exp, k2p = (1.35 +/- 0.28) X 1E-11 exp, k2s,D = (0.72 +/- 0.14) X 1E-11 exp , and k2p,D = (0.60 +/- 0.12) X 1E-11 exp.The results confirm the general trend of chlorine atom attack being faster at the substituted carbon atom.Kinetic isotope effects for the abstraction of primary and secondary hydrogen are kH/kD = 5.8 and 2.0 at 298 K, respectively.The magnitude of these relatively weak isotope effects agrees with expectations based on other exothermic chlorination reactions and suggests that in the temperature range of the investigation tunneling does not play an important role.