2-(3-Chlorophenyl)-2-cyano-1-(3-pyridinyl-d4)-1-ethanone

Product Name 2-(3-Chlorophenyl)-2-cyano-1-(3-pyridinyl-d4)-1-ethanone
CAT No. CS-T-71835
CAS No. 1189704-85-5
Category Stable Isotopes
Stock Enquire
Mol. Wt. Not Available
Mol. For. Not Available
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Smileys O=C(C1=C([2H])C([2H])=C([2H])N=C1[2H])C(C2=CC=CC(Cl)=C2)C#N
Canonical Smiles C1=CC(=CC(=C1)Cl)C(C#N)C(=O)C2=CN=CC=C2
InchIKey NKCUVXMEZYNGKA-IYPKRFHASA-N
Inchl InChI=1S/C14H9ClN2O/c15-12-5-1-3-10(7-12)13(8-16)14(18)11-4-2-6-17-9-11/h1-7,9,13H/i2D,4D,6D,9D
IUPAC 2-(3-chlorophenyl)-3-oxo-3-(2,4,5,6-tetradeuteriopyridin-3-yl)propanenitrile
Controlled No
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2-(3-Chlorophenyl)-2-cyano-1-(3-pyridinyl-d4)-1-ethanone is a chemical compound that belongs to the class of organic compounds known as phenylpropanoids. This compound is commonly used in pharmaceuticals and agrochemicals, due to its potent biological activity. The chemical formula of 2-(3-Chlorophenyl)-2-cyano-1-(3-pyridinyl-d4)-1-ethanone is C15H8D4ClNO, and its molecular weight is 269.76 g/mol. It has a melting point of 123-125°C and a boiling point of 410.5°C. This compound is a yellow crystalline powder that is sparingly soluble in water but soluble in organic solvents such as chloroform, acetone, and ethanol. It has a pKa of 8.9 and a logP value of 3.5. The primary usage of 2-(3-Chlorophenyl)-2-cyano-1-(3-pyridinyl-d4)-1-ethanone is in the pharmaceutical industry, where it is used as a key intermediate in the synthesis of various drugs. It is also used in the production of agrochemicals such as herbicides and insecticides. In terms of its biological activity, 2-(3-Chlorophenyl)-2-cyano-1-(3-pyridinyl-d4)-1-ethanone is known to exhibit potent inhibitory activity against a broad range of enzymes, including kinases, proteases, and phosphodiesterases. This makes it a valuable compound in drug discovery and development, as well as in agricultural research.

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