CAS 1116-98-9

tert-Butyl cyanoacetate

Description:

Tert-Butyl cyanoacetate is an organic compound characterized by its ester functional group, specifically a cyanoacetate. It features a tert-butyl group, which contributes to its branched structure, enhancing its steric hindrance and influencing its reactivity. The compound is typically a colorless to pale yellow liquid with a fruity odor. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic tert-butyl group. Tert-Butyl cyanoacetate is known for its utility in organic synthesis, particularly in the formation of various derivatives and as a building block in the synthesis of pharmaceuticals and agrochemicals. It can undergo reactions such as nucleophilic substitution and condensation, making it versatile in chemical transformations. Safety precautions should be observed when handling this compound, as it may pose health risks if inhaled or ingested, and appropriate personal protective equipment should be used.

Formula: C₇H₁₁NO₂

InChI: InChI=1/C7H11NO2/c1-7(2,3)5(4-8)6(9)10/h5H,1-3H3,(H,9,10)/p-1

InChI key: InChIKey=BFNYNEMRWHFIMR-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(CC#N)=O

Synonyms:

• 1,1-Dimethylethyl cyanoacetate
• 2-Cyano-3,3-Dimethylbutanoate
• Acetic acid, 2-cyano-, 1,1-dimethylethyl ester
• Acetic acid, cyano-, 1,1-dimethylethyl ester
• Acetic acid, cyano-, tert-butyl ester
• Cyanoacetic acid tert-butyl ester
• Cyanoaceticacidbutylester
• NSC 1072
• Tert-Butyl 2-Cyanoacetate
• t-Butyl cyanoacetate:
• tert-Butyl α-cyanoacetate
• tert-Butyl cyanoacetate
• Cyanoacetic acid 1,1-dimethylethyl ester
• aceticacid,cyano-,1,1-dimethylethylester

tert-Butyl Cyanoacetate

CAS: 1116-98-9

Formula: C₇H₁₁NO₂

Purity: >97.0%(GC)

Color and Shape: Colorless to Yellow clear liquid

Molecular weight: 141.17

Ref: 3B-C1441

tert-Butyl cyanoacetate

CAS: 1116-98-9

Formula: C₇H₁₁NO₂

Purity: 98%

Color and Shape: Liquid

Molecular weight: 141.1677

Ref: IN-DA0035N4

tert-Butyl cyanoacetate

CAS: 1116-98-9

tert-Butyl cyanoacetate

Formula: C₇H₁₁NO₂

Purity: ≥95%

Color and Shape: clear. light yellow liquid

Molecular weight: 141.16773g/mol

Ref: 54-OR55135

tert-Butylcyanoacetate

CAS: 1116-98-9

Formula: C₇H₁₁NO₂

Purity: 98%

Color and Shape: Yellow liquid

Molecular weight: 141.17

Ref: 10-F043389

tert-Butyl Cyanoacetate

Controlled Product

CAS: 1116-98-9

Formula: C₇H₁₁NO₂

Color and Shape: Neat

Molecular weight: 141.17

Ref: TR-B694005

tert-Butyl cyanoacetate, 98%

CAS: 1116-98-9

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 -selectivity. This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some

Formula: NCCH₂CO₂C(CH₃)₃

Purity: 98%

Color and Shape: Liquid or viscous liquid, Clear colorless to white to yellow

Molecular weight: 141.17

Ref: 02-L00123