1172623-96-9 | tert-Butyl (1-(2,5-difluorophenyl)-1-oxopent-4-yn-2-yl)carbamate

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$195.00	$136.00
5g	95%	in stock	$512.00	$358.00

Description

• Catalog Number: AA17941
• Chemical Name: tert-Butyl (1-(2,5-difluorophenyl)-1-oxopent-4-yn-2-yl)carbamate
• CAS Number: 1172623-96-9
• Molecular Formula: C16H17F2NO3
• Molecular Weight: 309.3079
• MDL Number: MFCD24470976
• SMILES: C#CCC(C(=O)c1cc(F)ccc1F)NC(=O)OC(C)(C)C

Computed Properties

• Complexity: 464
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 22
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 6
• Undefined Atom Stereocenter Count: 1
• XLogP3: 3.2

Upstream Synthesis Route

The tert-Butyl (1-(2,5-difluorophenyl)-1-oxopent-4-yn-2-yl)carbamate is a versatile compound widely used in chemical synthesis. Its unique structure and reactivity make it an essential building block in the development of pharmaceuticals, agrochemicals, and materials.In organic synthesis, tert-Butyl (1-(2,5-difluorophenyl)-1-oxopent-4-yn-2-yl)carbamate serves as a key intermediate for the preparation of various bioactive molecules and complex organic compounds. Its functional groups allow for selective modifications and efficient transformations, enabling chemists to access challenging chemical motifs and intricate molecular architectures.By incorporating tert-Butyl (1-(2,5-difluorophenyl)-1-oxopent-4-yn-2-yl)carbamate into synthetic routes, researchers can introduce fluorine atoms, alkynyl moieties, and carbamate functionalities into target molecules. This strategic use of the compound enhances the pharmacological properties, metabolic stability, and structural diversity of the final products, making it an indispensable tool in drug discovery and development.Furthermore, the synthetic flexibility and structural tunability of tert-Butyl (1-(2,5-difluorophenyl)-1-oxopent-4-yn-2-yl)carbamate enable chemists to access diverse chemical space and explore new reaction pathways. Its compatibility with various synthetic methodologies and ability to undergo selective transformations under mild conditions make it a valuable asset for designing innovative synthetic routes and accelerating the discovery of novel bioactive compounds.