[1-13C]-Cyanoacetic acid, tert-butyl ester

Product Name [1-13C]-Cyanoacetic acid, tert-butyl ester
CAT No. CS-EK-00379
CAS No. 1116-98-9 unlabeled
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
Canonical Smiles CC(C)(C)OC(=O)CC#N
InchIKey BFNYNEMRWHFIMR-UHFFFAOYSA-N
Inchl InChI=1S/C7H11NO2/c1-7(2,3)10-6(9)4-5-8/h4H2,1-3H3
IUPAC tert-butyl 2-cyanoacetate
Controlled No
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[1-13C]-Cyanoacetic acid, tert-butyl ester is a chemical compound that is commonly used in organic chemistry research. The compound is composed of a tert-butyl ester group, a cyano group, and a 13-carbon atom that replaces the 1-carbon atom in the cyanoacetic acid molecule. This carbon atom is a stable isotope of carbon and is often used in nuclear magnetic resonance (NMR) spectroscopy to study the structure and dynamics of molecules. In addition to its use in NMR spectroscopy, [1-13C]-Cyanoacetic acid, tert-butyl ester is also used in the synthesis of other organic compounds. The tert-butyl ester group can be easily removed from the molecule using various chemical reactions, which allows for the formation of new compounds that contain the cyanoacetic acid moiety. These compounds can be used in a variety of applications, including pharmaceuticals, agrochemicals, and materials science. When handling [1-13C]-Cyanoacetic acid, tert-butyl ester, it is important to take proper safety precautions. The compound can cause skin and eye irritation, and may be harmful if ingested or inhaled. It should be stored in a cool, dry place away from heat sources and incompatible materials. Overall, [1-13C]-Cyanoacetic acid, tert-butyl ester is a valuable tool in organic chemistry research and synthesis.

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