43049-56-5

Basic information

• Product Name: METHYL-D3 CHLOROFORMATE
• Synonyms: METHYL-D3 CHLOROFORMATE
• CAS NO: 43049-56-5
• Molecular Formula: C₂H₃ClO₂
• Molecular Weight: 97.515505334
• Mol File: 43049-56-5.mol
• Article Data: 10

Chemical Properties

• Appearance: /
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility: Chloroform
• Stability: Moisture Sensitive
• CAS DataBase Reference: METHYL-D3 CHLOROFORMATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL-D3 CHLOROFORMATE(43049-56-5)
• EPA Substance Registry System: METHYL-D3 CHLOROFORMATE(43049-56-5)

Safety Data

• Hazardous Substances Data: 43049-56-5(Hazardous Substances Data)

Usage

Description

METHYL-D3 CHLOROFORMATE is the isotope labeled analog of Chloroformic Acid Methyl Ester (C366740), a valuable synthetic intermediate in the development of pharmaceutical compounds.
Used in Pharmaceutical Industry:
METHYL-D3 CHLOROFORMATE is used as a synthetic intermediate for the development of a new class of potent Cdk4 inhibitors, which are crucial in the treatment of cancer. Its unique isotope labeling allows for enhanced tracking and understanding of the compound's behavior within biological systems.
Additionally, METHYL-D3 CHLOROFORMATE is used in the synthesis of Phorboxazole B, a complex marine natural product with potential therapeutic applications. Its incorporation aids in the exploration of novel chemical structures and their effects on biological targets.

Upstream product

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Relevant articles and documents

THE STRUCTURE OF METHYL FLUOROFORMATE FROM MICROWAVE SPECTROSCOPY AND AB INITIO CALCULATIONS

The microwave spectra of three isotopic species of methyl fluoroformate, CD3OCFO, CD2HOCFO and CH318OCFO have been measured and assigned.A barrier to internal rotation of 372+/-2 cm-1 has been obtained for three symmetric internal rotor species from internal rotation analyses.The rotational constants from five isotopic species have been used to determine an r0 structure for the s-trans conformer (methyl group trans to fluorine).The s-cis conformation is not compatible with the experimental data as the data lead to an unrealistically large COC angle.The fully optimized structure from ab initio calculations with the 6-31G* basis set which include electron correlation at the MP2 level is compared with the experimental structure and with earlier results from RHF/6-31G* calculations.

Highly sensitive GC/MS/MS method for quantitation of amino and nonamino organic acids

Metabolite profiling methods are important tools for measurement of metabolite pools in biological systems. While most metabolite profiling methods report relative intensities or depend on a few internal standards representing all metabolites, the ultimate requirement for a quantitative description of the metabolite pool in biological cells and fluids is absolute concentration determination. We report here a high-throughput and sensitive gas chromatography/tandem mass spectrometry (GC/MS/MS) targeted metabolite profiling method enabling absolute quantification of all detected metabolites. The method is based on methyl chloroformate derivatization and quantification by spiking samples with metabolite standards separately derivatized with deuterated derivatization reagents. The traditional electron impact ionization is replaced with positive chemical ionization since the latter to a much larger extent preserve the molecular ion and other high molecular weight fragments. This made it easier to select unique MS/MS transitions among the many coeluting metabolites. Currently, the novel GC/MS/MS method comprises 67 common primary metabolites of which most belong to the groups of amino and nonamino organic acids. We show the applicability of the method on urine and serum samples. The method is a significant improvement of present methodology for quantitative GC/MS metabolite profiling of amino acids and nonamino organic acids.

Diarylpyrazole compound, composition containing the same and application thereof

The invention provides a diarylpyrazole compound, a composition containing the same and application thereof. The diarylpyrazole compound is the compound shown as formula (I) or its tautomer, stereisomer, prodrug, crystal form, pharmaceutically acceptable

Deuterated of hepatitis c virus inhibitors

The invention belongs to the field of pharmaceutical chemistry, and more specifically relates to a deuterated hepatitis C virus inhibitor, a preparation method thereof, a pharmaceutical composition containing the deuterated hepatitis C virus inhibitor, and applications of the deuterated hepatitis C virus inhibitor and the pharmaceutical composition in preparing drugs used for treating hepatitis C virus infection. A compound represented by formula I possesses excellent pharmacokinetic properties, so that the compound is suitable to be used for inhibiting hepatitis C virus protein NS5A, and is suitable to be used for preparing drugs used for treating hepatitis C virus infection.