53001-22-2

Usage

Chemical Properties

TERT-BUTANOL-D10 is clear colorless liquid

Uses

Different sources of media describe the Uses of 53001-22-2 differently. You can refer to the following data:
1. TERT-BUTANOL-D10 is used as an internal standard for the quantification of Tert-butanol by GC- or LC-mass spectrometry
2. tert-Butanol-d10 may be used in the synthesis of cyanoacetic acid-tert-butylester-d9 and tert-butoxide-d9 (BuOK-d9).

General Description

tert-Butanol-d10 (tert-Butyl alcohol-d10) is a deuterated derivative of tert-butanol. It participates in the synthesis of cyanoacetic acid-tert-butylester-d9. Conformational analysis of 2,3-dihydroxypropanoic acid in tert-butyl alcohol-d10 indicates the dominance of gauche-hydroxyl rotamers (92%) under low pH conditions.

InChI:InChI=1/C4H10O/c1-4(2,3)5/h5H,1-3H3/i1D3,2D3,3D3,5D

Upstream product

• 666-52-4 [⁽²⁾H₆]acetone 
• 41251-37-0 methyl-d3-magnesium iodide 

Downstream Products

• 1246816-88-5 2-d-4,6-bis(1,1,1,3,3,3-d₆-2-(methyl-d₃)propan-2-yl)phenol 
• 1383561-36-1 d₉-tert-butylbenzotriazolyl carbonate 
• 1190006-35-9 C₁₁H₄⁽²⁾H₉NO₅ 
• 1257832-74-8 4-bromo-2-(2-(methyl-d₃)propan-2-yl-1,1,1,3,3,3-d₆)phenol 
• 56700-69-7 (2,4,6-trimethyl-phenyl)-carbamic acid tert-butyl ester 
• 96808-03-6 2-methyl-2-propyl-d9 phenyl sulfide 
• 918-20-7 tert-butyl chloride-d9 
• 20762-54-3 isobutene-d8 

Relevant academic research and scientific papers

Total-deuteration tert butyl alcohol preparation method

The invention discloses a total-deuteration tert butyl alcohol preparation method which comprises the following steps: firstly, making deuterium methyl magnesium iodide and deuteration acetone performGrignard reaction in anhydrous tetrahydrofuran under the existence of anhydrous manganese chloride; then hydrolyzing a reaction product under the acid condition to generate total-deuteration tert butyl alcohol, wherein the acid condition is formed by a heavy water solution which deuteration acid is added in. The total-deuteration tert butyl alcohol preparation method disclosed by the invention has the advantages of moderate reaction condition, high reaction yield, ability in obtaining abundant total-deuteration tert butyl alcohol and simpleness in technological operation.

Kinetic Isotope Effects for Hydrogen Abstraction from a Series of Cycloalkanes and Branched Alkanes by Hydrogen Atoms in the Gaseous Phase

Hydrogen atoms produced in the radiolysis of water vapor were used to determine the kinetic isotope effects for the reactions H(.) + RH(RD) -> H2(RD) + R(.) H(KD)>, where RH is a perprotiated alkane and RD is the corresponding perdeuterated alkane.The alkanes studied include a homologous series of cycloalkanes, cyclopentane through cyclododecane, and isobutane, 2,3-dimethylbutane, 2,3,4-trimethylpentane, and neopentane.The results were expressed in terms of the Arrhenius-type equation kH/kD = AH/AD expD-EH)(kJ mol-1)/RT>, over the temperature range of 363-463 K.The values for the ratio AH/AD range from 0.32 to 0.75, and the activation energy differences ED-EH vary from 6.8 to 11.0 kJ/mol, depending on the molecular structures of the reactants.The variation in the values of ED-EH was correlated with the bond dissociation energies of the C-H bond being broken.Theoretical calculations based on transition-state theory combined with the London-Eyring-Polanyi-Sato potetial energy surfaces could reproduce the major features of the experimental results when tunnel effects were taken into consideration.

DEHYDRATION OF ALCOHOLS ON ALUMINA-12

Primary kinetic isotope effects of the dehydration from the gas phase of tertiary, secondary and iso-butanol on alumina have been easured between 120 and 230 C. The deuteration on the hydroxyl group does not give rise to an isotope effect, whereas substitution of the !-proton by deuterium produces an appreciable effect. Below 200 C primary, secondary, and tertiary alcohols are dehydrated via reaction intermediates over alumina which presumably contain a certain degree of ionic contributions. With increasing temperature these ionic contributions are favored.