1072-82-8 | 3-Acetylpyrrole

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$14.00	$10.00
1g	98%	in stock	$27.00	$19.00
5g	98%	in stock	$58.00	$41.00
10g	98%	in stock	$114.00	$80.00
25g	98%	in stock	$284.00	$199.00

Description

• Catalog Number: AB51392
• Chemical Name: 3-Acetylpyrrole
• CAS Number: 1072-82-8
• Molecular Formula: C6H7NO
• Molecular Weight: 109.1259
• MDL Number: MFCD00067759
• SMILES: CC(=O)c1c[nH]cc1

Computed Properties

• Complexity: 101
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 8
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 0.4

Upstream Synthesis Route

3-Acetylpyrrole is a versatile compound known for its significant role in chemical synthesis. This compound is commonly utilized as a key building block in the creation of numerous pharmaceuticals, agrochemicals, and flavoring agents. In chemical synthesis, 3-Acetylpyrrole serves as a crucial intermediate in the production of various heterocyclic compounds. By undergoing targeted reactions and modifications, it can be transformed into valuable derivatives that exhibit a range of desirable properties and functionalities. Its unique structure enables it to participate in diverse synthetic pathways, allowing for the generation of complex organic molecules with specific applications in the field of medicinal chemistry, agriculture, and food technology.

Literature

• 2- and 3-acetylpyrroles: a combined calorimetric and computational study.

  The journal of physical chemistry. A 20090416