1572-99-2 | Ethyl 2-cyanopropanoate

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$10.00	$7.00
5g	95%	in stock	$16.00	$12.00
10g	95%	in stock	$20.00	$14.00
15g	95%	in stock	$29.00	$21.00
25g	95%	in stock	$39.00	$27.00
100g	95%	in stock	$119.00	$83.00

Description

• Catalog Number: AA79214
• Chemical Name: Ethyl 2-cyanopropanoate
• CAS Number: 1572-99-2
• Molecular Formula: C6H9NO2
• Molecular Weight: 127.1412
• MDL Number: MFCD00013812
• SMILES: CC(C(=O)OCC)C#N
• NSC Number: 68508

Computed Properties

• Complexity: 144
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Undefined Atom Stereocenter Count: 1
• XLogP3: 0.9

Upstream Synthesis Route

Ethyl 2-Cyanopropanoate, also known as ethyl cyanoacetate, is a versatile organic compound widely used in chemical synthesis. Its primary application lies in its role as a key building block in the preparation of various compounds through esterification reactions.In chemical synthesis, Ethyl 2-Cyanopropanoate serves as a valuable precursor for the synthesis of pyrazoles, pyrimidines, and other heterocyclic compounds. Its unique chemical structure makes it an important intermediate in the pharmaceutical industry, where it is utilized in the production of pharmaceuticals and agrochemicals.Furthermore, Ethyl 2-Cyanopropanoate plays a crucial role in the synthesis of complex organic molecules, serving as a carbon skeleton for the construction of more complex structures. Its ability to undergo various functional group transformations makes it a versatile starting material in organic synthesis.Overall, Ethyl 2-Cyanopropanoate's application in chemical synthesis extends beyond its role as a simple ester, showcasing its significance as a fundamental building block for diverse organic compounds.

Literature

• Neutral and cationic chiral NCN pincer nickel(II) complexes with 1,3-bis(2'-imidazolinyl)benzenes: synthesis and characterization.

  Dalton transactions (Cambridge, England : 2003) 20110921

• Double bonds in motion: bis(oxazolinylmethyl)pyrroles and their metal-induced planarization to a new class of rigid chiral C2-symmetric complexes.

  Chemistry (Weinheim an der Bergstrasse, Germany) 20030414

• Palladium-catalyzed hydrocarbonation and hydroamination of 3,3-dihexylcyclopropene with pronucleophiles.

  The Journal of organic chemistry 20030321