40662-43-9

Basic information

• Product Name: 2-CYANO-2-PROPANOL-1,1,1,3,3,3-D6
• Synonyms: 2-CYANO-2-PROPANOL-1,1,1,3,3,3-D6;2-Hydroxy-2-(Methyl-d3)-propanenitrile-3,3,3-d3;Acetone Cyanohydrin-d6;Perdeuterioacetone Cyanohydrin
• CAS NO: 40662-43-9
• Molecular Formula: C₄H₇NO
• Molecular Weight: 91.141450668
• Product Categories: Isotope Labeled Compounds;Isotope Labelled Compounds
• Mol File: 40662-43-9.mol

Chemical Properties

• Appearance: /
• Solubility: Dichloromethane, Methanol
• CAS DataBase Reference: 2-CYANO-2-PROPANOL-1,1,1,3,3,3-D6(CAS DataBase Reference)
• NIST Chemistry Reference: 2-CYANO-2-PROPANOL-1,1,1,3,3,3-D6(40662-43-9)
• EPA Substance Registry System: 2-CYANO-2-PROPANOL-1,1,1,3,3,3-D6(40662-43-9)

Safety Data

• Hazardous Substances Data: 40662-43-9(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
2-Cyano-2-propanol-1,1,1,3,3,3-D6 is used as a synthetic building block for the creation of a wide range of organic compounds. Its application in organic synthesis is due to its versatile structure, which allows for the formation of various functional groups and molecular frameworks.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 2-Cyano-2-propanol-1,1,1,3,3,3-D6 is used as a key intermediate in the development of new drugs. Its deuterated nature can provide isotopically labeled compounds, which are valuable for studying the metabolic pathways and pharmacokinetics of drug candidates.
Used in Chemical Research:
2-Cyano-2-propanol-1,1,1,3,3,3-D6 is also employed in chemical research as a tool to investigate reaction mechanisms and to understand the role of deuterium in various chemical processes. Its use in research helps to advance the knowledge of chemical reactions and the development of novel synthetic methods.
Used in Material Science:
In the field of material science, 2-Cyano-2-propanol-1,1,1,3,3,3-D6 can be used as a component in the synthesis of advanced materials with specific properties. Its incorporation into polymers or other materials can lead to improved performance characteristics, such as enhanced stability or altered physical properties.
Overall, 2-Cyano-2-propanol-1,1,1,3,3,3-D6 is a valuable compound with diverse applications across various industries, including organic synthesis, pharmaceuticals, chemical research, and material science. Its unique properties and deuterium labeling make it an essential tool for the development of new compounds and the advancement of scientific knowledge.

Upstream product

• 666-52-4 [⁽²⁾H₆]acetone 
• 74-90-8 hydrogen cyanide 
• 143-33-9 sodium cyanide 
• 7677-24-9 trimethylsilyl cyanide 
• 151-50-8 potassium cyanide 

Downstream Products

• 32376-01-5 (D₅)methacrylonitrile 
• 40662-45-1 2-hydroxy-2-[²H₃]methyl[²H₃]propanoic acid 
• 35233-69-3 methyl methacrylate-d₈ 

Relevant articles and documents

DEUTERATED MK2 PATHWAY INHIBITORS AND METHODS OF USING THE SAME

The present disclosure provides deuterated pyridinone-pyridinyl compounds and compositions useful in the treatment of p38 MAP Kinase mediated having the structures of Formula (I); wherein the A, B, and R groups are as defined in the detailed description. Methods of inhibition of p38 MAP Kinase activity in a human or animal subject are also provided.

The synthesis of one H-2 labeled and two H-3 labeled leukotriene C4 synthase inhibitors

As part of a medicinal chemistry program aimed at developing a leukotriene C4 synthase inhibitor for the treatment of asthma, two tritium-labeled and one stable isotope-labeled compounds were required. The synthesis of the tritium-labeled compounds used a standard bromination-tritiodehalogentation approach. One of the tritium-labeled compounds was observed to exchange its tritium label slowly with the solvent. The stable isotope-labeled compound was prepared in seven steps (3percent overall yield) from [2H6]acetone in a modification of the route used by medicinal chemistry.

DERIVATIVES OF RESIQUIMOD

A deuterated compound having structural formula I or a pharmaceutically acceptable salt thereof: Values and example values of the variable in formula (I) are disclosed herein. Also disclosed are the use of compounds of formula (I) in the methods of treating a disease selected from cancer, an autoimmune disease, and an infectious disease, and methods of enhancing an immune response to an antigen.

METHOD FOR PRODUCING DEUTERATED METHYL METHACRYLATE

A method for producing MMA-d8 which includes a step of exchanging D in hydroxyl group of methanol-d4 represented by the formula: CD3OD with H to prepare the methanol-d3 represented by the formula CD3OH and simultaneously recovering a deuterium-containing compound, and a step of reacting methanol-d3 with sulfuric acid salt of methacrylic acid amide represented by the formula CD2=(CD3)CO(NH2·H2SO4) to prepare MMA-d8 represented by the formula: CD2=(CD3)COOCD3.

MANUFACTURING METHOD OF DEUTERATED METHYL METHACRYLATE

PROBLEM TO BE SOLVED: To provide an economical manufacturing method of methyl methacrylate-d8 (C5D8O2) which is excellent in both the deuteration rate and the chemical purity and is useful as a raw material for plastic optical fibers and optical waveguide materials having a low transmission loss.SOLUTION: Methyl methacrylate-d8 is manufactured using as raw materials readily available methanol-d4 and acetone-d6 with all hydrogen atoms thereof deuterated, where methanol-d4 is converted into methanol-d3 with its methyl group fully deuterated and methyl methacrylate-d8 is obtained from the thus-obtained methanol-d3 with its methyl group fully deuterated and acetone cyanhydrin-d6 prepared from acetone-d6. A deuterium-containing compound, recovered when methanol-d4 is converted into methanol-d3 with its methyl group fully deuterated, is reutilized as a part of raw materials for manufacturing methanol-d4 and acetone-d6.

Preparation, structure, and unique thermal [2 + 2], [4 + 2], and [3 + 2] cycloaddition reactions of 4-vinylideneoxazolidin-2-one

The terminal allene Cα=Cβ bonds of 4-vinylidene-2-oxazolidinone (2) readily undergo [2 + 2] cycloaddition with a wide variety of terminal alkynes, alkenes, and 1,3-dienes irrespective of their electronic nature under strictly thermal activation conditions (70-100°C) and provide 3-substituted (Z)-methylenecyclobutenes 6, 3-substituted methylenecyclobutanes 7 and 8, and 3-vinylmethylenecyclobutanes 9, respectively, in good to excellent yields. Alkenes react with 2 with complete retention of configuration. The [2 + 2] cycloaddition is concluded to proceed via a concerted [(π2s + π2s)allene + π2s] Hueckel transition state on the basis of experimental evidences and quantum mechanical methods. Some highly polarized enones and nitrile oxide, on the other hand, react with 2 selectively at the internal C4=Cα double bonds and give spiro compounds 10 and 11, respectively. The bent allene bonds (173-176°) and the unique reactivity associated with 2 are attributed to a low-lying LUMO (Cα=Cβ) that is substantiated by a through-space σ*(N-SO2)-π*(Cα= Cβ) orbital interaction.

Naturally occurring cyanohydrins, analogues and derivatives as potential insecticides

Several naturally occurring cyanohydrins were tested for fumigation toxicity to two insect species, the house fly (Musca domestica L) and the lesser grain borer (Rhyzopertha dominica (F)). Synthetic analogues of these compounds were tested as well. Most of the cyanohydrins tested were more toxic as fumigants to M domestica and R dominica than chloropicrin; some compounds were nearly as toxic as dichlorvos. Naturally occurring cyanohydrins were among the most toxic tested. (C) 2000 Society of Chemical Industry.

Synthesis of flutamide-d7 and its main metabolite-d6

With the main objective of examining the pharmacokinetics of flutamide, flutamide-d7 and its main metabolite-d6 have been prepared. By carboxylation of Grignard-derivative (IV), deuterocarboxylic acid (V) was prepared from which acyl

Kinetics and Mechanism of the Formation of Methacrylamide from 2-Methyl-2-sulphatopropionamide in Strong Acid Media

The kinetics and mechanism of the elimination of sulphuric acid from the sulphate ester of 2-hydroxy-2-methylpropionamide in 90-102percent H2SO4 have been studied by multinuclear (1H, 2H, 13C and 15N) NMR spectroscopy.The results, which include activation parameters, influence of acid strength and kinetic isotope effects, are consistent with an E2 elimination occurring from the protonated substrate and involving the hydrogensulphate anion as a base.

Thermal Degradation of Polymers. I Integrity of Monomer Derived from Thermal Degradation of Poly(methyl methacrylate) and Poly(methacrylonitrile)

A random copolymer of methyl methacrylate and its (D5)analogue has been used to show that thermal degradation of the polymer regenerates the original monomer units.A similar results has been obtained for poly(methacrylonitrile).In each case, thermal degradation at 200 deg produced mainly the (D0)- and (D5)-species, while at higher temperatures some (D2)- and (D3)-ions were observed in the mass spectrum of the recovered monomer.