t-Butylcyano acetate Bottom of Form, CAS No. 1116-98-9

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1116-98-9

Catalog No. EBD2202850

CAS 1116-98-9

Name t-Butylcyano acetate Bottom of Form

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Basic Information

Synonyms: tert-butylcyanoacetate t-butylcyanoacetate cyanoaceticacidtert-butylester aceticacid,cyano-,1,1-dimethylethylester 3-oxo-3-tert-butoxypropanenitrile cyanoaceticacid1,1-dimethylethylester 2-cyanoaceticacidtert-butylester Aceticacid,2-cyano-,1,1-dimethylethylester t-ButylcyanoacetateBottomofForm t-Butylcyanoacetate: 2-cyano-3,3-dimethylbutanoate tert-butyl2-cyanoacetate

Molecular Formula: C7H11NO2

Molecular Weight: 141.17

MDL Number: MFCD00001938

Categories: Synthetic Chemistry > Organic Building Blocks > Cyano Compounds Synthetic Chemistry > Basic Synthetic Reagents > C-C Bond Formation Reagents

Product Description:

Tert-Butyl cyanoacetate is an organic compound characterized by a cyano group and an ester group attached to a methylene unit, with the ester being a tert-butyl ester. It is a colorless to pale yellow liquid with the molecular formula C7H11NO2. This compound is a versatile and important building block in organic synthesis. Its primary application lies in its role as a precursor for the synthesis of various heterocyclic compounds, particularly pyrimidines and pyridines, through reactions such as the Knoevenagel condensation. The active methylene group flanked by the electron-withdrawing cyano and ester groups makes it an excellent substrate for carbon-carbon bond formation. It is also used in the synthesis of α-cyanocinnamates and other functionalized acrylates. As a reagent, tert-butyl cyanoacetate is valued for the tert-butyl ester group, which can be cleaved under mild acidic conditions, making it a useful protecting group strategy in multi-step syntheses. It is commonly employed in pharmaceutical and agrochemical research for constructing complex molecular frameworks.

Physical Properties

Boiling Point: 40-42 °C/0.1 mmHg(lit.)

Flash Point: 118 °C

Density: 0.988 g/mL at 20 °C(lit.)

Refractivity: n20/D 1.420

Storage: 2-8°C