tert-Butyl cyanoacetate (C7H11NO2)

tert-Butyl cyanoacetate presents a C7 framework, basic nitrogen (formula C7H11NO2, CAS 1116-98-9). ChemicalHelper Reaction can propose ranked disconnections for tert-Butyl cyanoacetate from the SMILES CC(C)(C)OC(=O)CC#N.

Target: tert-Butyl cyanoacetate
CAS: 1116-98-9
Formula: C7H11NO2
Approx. MW: 141.17
SMILES: CC(C)(C)OC(=O)CC#N
PubChem CID: 70693
Approx. carbons: C7

tert-Butyl cyanoacetate structure

Properties

IUPAC name: tert-butyl 2-cyanoacetate
Common names: tert-Butyl cyanoacetate; tert-butyl 2-cyanoacetate; Acetic acid, cyano-, 1,1-dimethylethyl ester; Cyanoacetic Acid tert-Butyl Ester; Acetic acid, cyano-, tert-butyl ester; PWT31M9VDL; 1,1-dimethylethyl cyanoacetate; NSC-1072; EINECS 214-243-7; UNII-PWT31M9VDL
Molecular weight: 141.17
Exact mass: 141.08
InChIKey: BFNYNEMRWHFIMR-UHFFFAOYSA-N

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tert-Butyl cyanoacetate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of tert-Butyl cyanoacetate?

tert-Butyl cyanoacetate has molecular formula C7H11NO2. Molecular weight about 141.17 g·mol⁻¹.

What is the CAS number of tert-Butyl cyanoacetate?

The CAS Registry Number for tert-Butyl cyanoacetate is 1116-98-9.

Run AI retrosynthesis for tert-Butyl cyanoacetate Target catalog AI tools overview

Open the planner with tert-Butyl cyanoacetate preloaded, then keep routes that match CAS 1116-98-9.

Related targets

Similar compounds

(diethoxymethyl)dimethylamine 2-(2-Hydroxyethyl)piperidine 2-Ethylpiperidine 3-(Diethylamino)propanenitrile 3-Butoxypropylamine 3-Quinuclidinol

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References & tools

ChemicalHelper Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.