tert-Butyl cyanoacetate CAS 1116-98-9

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tert-Butyl cyanoacetate CAS 1116-98-9

CAS: 1116-98-9
Molecular Formula: C7H11NO2
Molecular Weight: 141.17
EINECS: 214-243-7
HS Code: 29269090

Synonyms: TERT-BUTYL CYANOACETATE; T-BUTYL CYANOACETATE; CYANOACETIC ACID TERT-BUTYL ESTER; aceticacid,cyano-,1,1-dimethylethylester; Cyanoaceticacidbutylester; 3-Oxo-3-tert-butoxypropanenitrile; Cyanoacetic acid 1,1-dimethylethyl ester; Tert-butyl cyanoacet

What is tert-Butyl cyanoacetate CAS 1116-98-9?

tert-Butyl cyanoacetate CAS 1116-98-9 is a cyanoacetic acid tert-butyl ester commonly used as a synthetic building block in organic chemistry. It is especially useful in the synthesis of vinylogous urea, tert-butyl phenylcyanoacrylates, and other functional intermediates, and has also been reported as an additive in the sugar nucleoside base coupling step en route to DAPD with improved beta-selectivity.

Specifications

Property Value
Appearance Clear colorless oily liquid
Boiling Point 40–42 °C/0.1 mmHg
Density 0.988 g/mL at 20 °C
Fp 91 °C
pka 3.21±0.10 (Predicted)
Storage Conditions Store at 2–8 °C

Features

  • Versatile Cyanoacetate Intermediate: tert-Butyl cyanoacetate is a useful cyanoacetate building block widely applied in organic synthesis and intermediate development.
  • Useful for Functionalization Reactions: The reference page notes that it undergoes functionalization and decarboxylation to form 3-amino-4-alkyl isoquinolines, supporting its value in heterocyclic synthesis research.
  • Broad Synthetic Utility: It is used in the synthesis of vinylogous urea and tert-butyl phenylcyanoacrylates, making it suitable for fine chemical and medicinal chemistry applications.
  • Nucleoside Chemistry Relevance: It has also been reported as a new additive for the sugar nucleoside base coupling step en route to DAPD with improved beta-selectivity.

Applications

  • Organic Synthesis: Commonly used in synthesis research involving cyanoacetate derivatives and related functional organic intermediates.
  • Heterocyclic Compound Preparation: Applied in studies involving functionalization and decarboxylation routes to 3-amino-4-alkyl isoquinolines.
  • Fine Chemical Intermediate Development: Utilized in the preparation of vinylogous urea, tert-butyl phenylcyanoacrylates, and other specialty intermediates.
  • Nucleoside Synthesis Research: Employed in nucleoside-related process research as an additive in sugar nucleoside base coupling steps.

Packaging

Mikem offers flexible packaging options, including 25 kg of fiber drums for liquid products and 15–25 kg PP/PE bags for powder products, all customizable to meet your specific needs.

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