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2-Deuterium octane, also known as 2-D2-octane or 2,2,3,4,5,6,7,8-octa-deuterioctane, is an isotope-labeled hydrocarbon compound with the molecular formula C8D18. It is a deuterated analog of regular octane, where each hydrogen atom in the molecule is replaced by a deuterium atom, an isotope of hydrogen with one proton and one neutron. This substitution makes 2-deuterium octane a valuable compound for various applications, such as in nuclear magnetic resonance (NMR) spectroscopy, where it serves as a reference standard for chemical shift measurements. Additionally, it can be used in studies of reaction kinetics and isotope effects, as well as in the synthesis of other deuterated compounds. The presence of deuterium atoms in 2-deuterium octane can also affect its physical properties, such as boiling point and melting point, compared to regular octane, making it a useful tool for understanding the impact of isotopic substitution on molecular behavior.

3050-62-2

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3050-62-2 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 3050-62-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,0,5 and 0 respectively; the second part has 2 digits, 6 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 3050-62:
(6*3)+(5*0)+(4*5)+(3*0)+(2*6)+(1*2)=52
52 % 10 = 2
So 3050-62-2 is a valid CAS Registry Number.

3050-62-2Downstream Products

3050-62-2Relevant academic research and scientific papers

Reactions of Saturated and Unsaturated Tertiary Alkyl Halides and Saturated Secondary Alkyl Iodides with Lithium Aluminum Deuteride. Convincing Evidence for a Single-Electron-Transfer Pathway

Ashby, E. C.,Welder, Catherine O.

, p. 7707 - 7714 (1998)

Reactions of saturated secondary and tertiary alkyl halides with LiAlH4 (LAH) and LiAlD4 (LAD) have been carried out, and convincing evidence for a single-electron-transfer (SET) pathway has been obtained. Reactions involving saturated alkyl halides with LAD provide a model system in which a halogen-atom radical chain process is not possible, and therefore, the observation of large quantities (in some cases >90 percent) of protium in the reduction product provides strong evidence for a radical intermediate and a SET pathway. Specifically, the reaction of 2-iodooctane (10) with LAD produced octane with a deuterium content as low as 21 percent. Also, the reaction of the tertiary halide 2-iodo-2-methylheptane (15) with LAD produced 2-methylheptane (16) with a deuterium content as low as 8 percent. The effect of stoichiometry, halogen type, and reaction vessel surface on these reactions was studied. Reaction of the unsaturated tertiary halide 6-iodo-6-methyl-1-heptene (25) with LAD was also studied and was found to proceed predominantly by a SET process involving a halogen-atom radical chain process. The possibility of a carbocation intermediate in all of these reactions is discussed.

Photochemistry of racemic and resolved 2-iodooctane. Effect of solvent polarity and viscosity on the chemistry

Gao, Fang,Boyles, David,Sullivan, Rodney,Compton, Robert N.,Pagni, Richard M.

, p. 9361 - 9367 (2007/10/03)

The photochemistry of racemic and resolved 2-iodooctane was examined in cyclopentane, methanol, and 2-methyl-2-propanol, media with differing polarities and viscosities. The photochemistry of racemic 2-iodooctane was also examined in the gas phase. The photochemistry of 2-deuterio- and 1,1,1-trideuterio-2-iodooctane in cyclopentane and methanol was also studied. The photoreactions in cyclopentane, 2-methyl-2-propanol, and the gas phase occurred exclusively through homolytic reactions, while in methanol, they occurred predominantly (> 53%) through heterolytic reactions. By comparing the disappearance of the optically active substrate with its loss of optical activity, F, the fraction of the initially formed radical pair (RP) or ion pair (IP) resulting in product was determined for the three solvents. Because F contains contributions of both escape of the partners in the RP or IP into the bulk of the solvent and reaction within the RP or IP to yield products other than the substrate, there was no correlation between F and solvent viscosity. The F values will be valuable in assessing the photochemistry of 2-iodooctane in the same media with circularly polarized light.

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