2949-22-6 | Ethyl isocyanatoacetate

Packsize	Purity	Availability	Price	Discounted Price
1g	99%	in stock	$19.00	$13.00
5g	99%	in stock	$36.00	$25.00
10g	99%	in stock	$59.00	$41.00
25g	99%	in stock	$105.00	$73.00

Description

• Catalog Number: AB37919
• Chemical Name: Ethyl isocyanatoacetate
• CAS Number: 2949-22-6
• Molecular Formula: C5H7NO3
• Molecular Weight: 129.114
• MDL Number: MFCD00002040
• SMILES: CCOC(=O)CN=C=O

Computed Properties

• Complexity: 137
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• XLogP3: 1.5

Upstream Synthesis Route

Ethyl isocyanatoacetate is a versatile compound used in chemical synthesis for a variety of applications. Its unique structure allows it to participate in a range of reactions, making it a valuable building block in organic chemistry. One common use of ethyl isocyanatoacetate is in the synthesis of heterocyclic compounds, such as pyrazoles and pyrimidines. These compounds have important biological activities and are found in many pharmaceuticals and agrochemicals. Additionally, ethyl isocyanatoacetate can be used in the preparation of carbamates, which have applications in the field of polymer chemistry. Its reactivity and compatibility with other reagents make it a valuable tool for chemists seeking to synthesize complex molecules with specific properties.