159301-43-6

Basic information

• Product Name: CHLOROACETYL-D2 CHLORIDE
• Synonyms: CHLOROACETYL-D2 CHLORIDE
• CAS NO: 159301-43-6
• Molecular Formula: C₂H₂Cl₂O
• Molecular Weight: 114.955003556
• Product Categories: Aliphatics, Intermediates, Isotope Labelled Compounds
• Mol File: 159301-43-6.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: CHLOROACETYL-D2 CHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: CHLOROACETYL-D2 CHLORIDE(159301-43-6)
• EPA Substance Registry System: CHLOROACETYL-D2 CHLORIDE(159301-43-6)

Safety Data

• Hazardous Substances Data: 159301-43-6(Hazardous Substances Data)

Usage

Uses

Used in Chemical Synthesis:
CHLOROACETYL-D2 CHLORIDE is used as a building block for the synthesis of various chemical compounds, particularly those involving chlorinated benzene derivatives. Its deuterated nature provides unique properties that can be beneficial in specific chemical reactions.
Used in Pharmaceutical Industry:
CHLOROACETYL-D2 CHLORIDE is used as a synthetic intermediate for the development of novel pharmaceutical compounds. The deuterium labeling can offer advantages in drug design, potentially improving the stability, solubility, or bioavailability of the final product.
Used in Anti-Fungal Applications:
CHLOROACETYL-D2 CHLORIDE is used as a key component in the synthesis of Inulin (I666680) derivatives with chlorinated benzene, which exhibit antifungal activity. This application highlights its utility in the development of new antifungal agents to combat fungal infections.

Upstream product

• 1112-02-3 d⁽³⁾-acetic acid 
• 1633-48-3 chloroacetic acid-d₂ 
• 1186-52-3 tetradeuterioacetic acid 
• 19259-90-6 [2H₃]acetyl chloride 

Downstream Products

• 1054624-86-0 2-chloro-N-(2,6-di(d3-methyl)phenyl)-2,2-d2-acetamide 
• 1184174-93-3 2-Chloro-1-(4-(4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl)-3,6-dihydropyridin-1(2H)-yl)ethan-1-one-2,2-d2 

Relevant articles and documents

The microwave spectrum of an unstable molecule: Chloroketene ClHCCO

The microwave spectra of four isotopic species of the unstable molecule chloroketene ClHCCO have been observed from the flow pyrolysis of monochloroacetyl chloride and from the pyrolityc reaction of dichloroacetyl chloride with zinc metal.The spectra, which consist only of b-type transitions, were observed in the frequency range 26.5-80 GHz.Accurate rotational constants and quartic and sextic centrifugal distortion constants have been obtained for all isotopes.Large numbers of perturbations have been observed in the chlorine quadrupole hyperfine structure; consequently, the complete quadrupole coupling tensor has been evaluated.The dipole moment has been measured.The molecule has been shown to be planar, and a partial r0 structure has been determined.

COMPOUNDS AND METHOD OF USE

This present disclosure relates to compounds with ferroptosis inducing activity, a method of treating a subject with cancer with the compounds, and combination treatments with a second therapeutic agent.

COMPOUNDS THAT ARE ERK INHIBITORS

Disclosed are the ERK inhibitors of formula 1.0: and the pharmaceutically acceptable salts, and solvates thereof. Q is a tetrahydopyridinyl ring. All other substitutents are as defined herein. Also disclosed are methods of treating cancer using the compounds of formula 1.0.

DEUTERATED PIPERAZINE DERIVATIVES AS ANTI-ANGINAL COMPOUNDS

This invention relates to novel compounds of formula A that partially inhibit fatty acid oxidation and pharmaceutically acceptable salts thereof. More specifically, this invention relates to novel compounds that are derivatives of ranolazine. This invention also provides compositions comprising one or more compound of this invention and a carrier and the use of the disclosed compounds and compositions in methods of treating diseases and conditions that are beneficially treated by partial fatty acid oxidation inhibitors, such as ranolazine. (Formula A), wherein at least one of Y or R comprises a deuterium atom.

Efficient routes to isotopically labelled epichlorohydrins ((chloromethyl) oxiranes)

Efficient routes are developed for the synthesis of variously labelled 2H- and 13C- labelled epichlorohydrins prepared from appropriately labelled acetic acids and sodium borodeuteride. The route is versatile and can be used for strategic location of isotopes at C-I, C-2 and C-3 of epichlorohydrin. By way of demonstration [2-13C]-, [2-2H]-, [3-2H2] and [2-2H, 3-2H2]-epithlorohydrins have been prepared. In addition the syntheses can be adapted for the preparation of enantiomerically pure and isotopically labelled epichlorohydrins.

Syntheses of racemic and both chiral forms of cyclopropane-1,2-d2 and cyclopropane-1-13C-1,2,3-d3

The racemic and both chiral forms of cyclopropane-1,2-d2 and cyclopropane-1-13C-1,2,3-d3 have been prepared efficiently through sequences based on trans-1,2-bis(methoxycarbonyl)cyclopropanes. These diesters have been prepared in racemic form with 1,2-d2 labeling and with 3-13C-1,2,3-d3 labeling. The labeled diesters have been resolved to provide both chiral forms, and the racemic or resolved diesters have been converted to the corresponding specifically labeled racemic or chiral cyclopropanes through a two-step sequence involving reduction and decarbonylation. The chemical, isotopic, geometrical, and chiral quality of the labeled cyclopropanes in both sets of isomers is estimated to be quite high and strictly comparable.

Effect of Reactivity on Virtual Transition-State Structure for the Acylation Stage of Acetylcholinesterase-Catalyzed Hydrolysis of Aryl Esters and Anilides

The acylation stage of acetylcholinesterase-catalyzed hydrolysis of p-methoxyphenyl formate and of three anilides (o-nitrochloroacetanilide, o-nitroacetanilide, and o-nitroformanilide) has been studied by measuring substrate secondary and solvent isotope effects and by determining pL (L = H, D)-rate profiles and Eyring plots.The results of each of these probes support a model for acylation rate determination that involves a virtual transition state that contains contributions from the transition states of sequential physical and chemical steps.Eyring plots for all substrates are nonlinear and are interpreted in terms of temperature-dependent changes in fractional rate determination of sequential microscopic steps.For all substrates acylation reactivity increases sigmoidally with pH and depends on pKaH2O = 5.6-5.8, which is well below the intrinsic pKa = 6.3 of the active site histidine.Solvent isotope effects for the anilide substrates are in the range 1.3-1.6.Proton inventory experiments indicate that intrinsic solvent isotope effects of ca 2 that arise from general acid-base stabilization of the chemical transition state partially masked by a solvent isotope-insensitive transition state that contributes 58-67percent to acylation rate determination.For the most reactive substrate, p-methoxyphenyl formate, the solvent isotope effect is 1.09, which indicates that the solvent isotope-insensitive transition state is almost entirely rate determining.Substrate secondary deuterium kinetic isotope effects are consistent with decreasing nucleophilic interaction at the carbonyl carbon of the scissile bond of the substrate in the virtual acylation transition state with increasing kcat/Km.Hence, both solvent and substrate isotope effects indicate a general trend toward less acylation rate determination by chemical transition states as reactivity increases.The virtual transition-state model delineated herein lends quantitative support to Rosenberry's notion that the acylation stage of acetylcholinesterase-catalyzed hydrolysis of neutral substrates is prominently rate limited by an induced fit conformation change that precedes chemical catalysis.