tert-Butyl cyanoacetate, 98%

Description

CAS: 1116-98-9 | C7H11NO2 | 141.17 g/mol

tert-Butyl cyanoacetate is used in the synthesis of vinylogous urea. It is also used as a new additive for the sugar nucleoside base coupling step en route to DAPD with improved β-selectivity.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
tert-Butyl cyanoacetate is used in the synthesis of vinylogous urea. It is also used as a new additive for the sugar nucleoside base coupling step en route to DAPD with improved β-selectivity.

Solubility
Difficult to mix.

Notes
Store away from strong oxidizing agents. Keep container tightly closed. Store in cool, dry conditions in well sealed containers.

Specifications

Chemical Identifiers

• CAS: 1116-98-9
• Molecular Formula: C7H11NO2
• Molecular Weight (g/mol): 141.17
• MDL Number: MFCD00001938
• InChI Key: BFNYNEMRWHFIMR-UHFFFAOYSA-N
• Synonym: tert-butyl cyanoacetate, t-butyl cyanoacetate, acetic acid, cyano-, 1,1-dimethylethyl ester, cyanoacetic acid tert-butyl ester, acetic acid, cyano-, tert-butyl ester, acetic acid, 2-cyano-, 1,1-dimethylethyl ester, tert-butylcyanacetat, t-butylcyanoacetate, tert-butylcyanoacetate, tert butyl cyanoacetate
• PubChem CID: 70693
• IUPAC Name: tert-butyl 2-cyanoacetate
• SMILES: CC(C)(C)OC(=O)CC#N

• Density: 0.987
• Boiling Point: 67°C to 68°C (1.5 mmHg)
• Flash Point: 91°C (195°F)
• Odor: Odorless
• Refractive Index: 1.42
• Quantity: 5 g
• Beilstein: 1755933
• Solubility Information: Difficult to mix.
• Formula Weight: 141.17
• Percent Purity: 98%
• Chemical Name or Material: tert-Butyl cyanoacetate

Safety and Handling

Hazard Category	H227-H302
Hazard Statement	GHS H Statement H301-H227 Toxic if swallowed. Combustible liquid.
Precautionary Statement	P210-P264b-P270-P280-P301+P312-P330-P370+P378q-P501c
EINECSNumber	214-243-7
TSCA	Yes
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only