1116-98-9 | tert-Butyl cyanoacetate

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$16.00	$11.00
5g	98%	in stock	$19.00	$13.00
25g	98%	in stock	$20.00	$14.00
100g	98%	in stock	$74.00	$52.00
500g	98%	in stock	$203.00	$142.00

Description

• Catalog Number: AB47080
• Chemical Name: tert-Butyl cyanoacetate
• CAS Number: 1116-98-9
• Molecular Formula: C7H11NO2
• Molecular Weight: 141.1677
• MDL Number: MFCD00001938
• SMILES: N#CCC(=O)OC(C)(C)C
• NSC Number: 1072

Computed Properties

• Complexity: 170
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• XLogP3: 1

Upstream Synthesis Route

Tert-butyl cyanoacetate is a valuable chemical compound widely utilized in organic synthesis. Its primary application lies in its role as a versatile building block in the preparation of various pharmaceuticals, agrochemicals, and specialty chemicals. Due to the presence of the cyano group, this compound acts as an important intermediate in the synthesis of different heterocyclic compounds, such as pyridines and pyrimidines. Additionally, tert-butyl cyanoacetate can undergo various chemical transformations, including nucleophilic addition and substitution reactions, enabling the formation of complex molecular structures. Its unique chemical properties and reactivity make it a crucial component in the synthesis of diverse organic compounds with potential applications in the fields of medicine, agriculture, and materials science.

Literature

• Synthesis of jenamidines A1/A2.

  Organic letters 20050929