1182359-40-5 | tert-Butyl 3-thioxopiperazine-1-carboxylate

Packsize	Purity	Availability	Price	Discounted Price
50mg	95%	1 week	$707.00	$495.00
100mg	95%	1 week	$1,014.00	$710.00
250mg	95%	1 week	$1,415.00	$991.00
500mg	95%	1 week	$2,183.00	$1,529.00
1g	95%	1 week	$2,771.00	$1,940.00

Description

• Catalog Number: AI11649
• Chemical Name: tert-Butyl 3-thioxopiperazine-1-carboxylate
• CAS Number: 1182359-40-5
• Molecular Formula: C9H16N2O2S
• Molecular Weight: 216.30053999999996
• MDL Number: MFCD19105267
• SMILES: S=C1NCCN(C1)C(=O)OC(C)(C)C

Computed Properties

• Complexity: 248
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 0.8

Upstream Synthesis Route

Tert-butyl 3-thioxopiperazine-1-carboxylate is a versatile compound commonly employed in chemical synthesis for its unique properties. This particular molecule serves as a valuable building block in organic chemistry, facilitating the creation of more complex structures with a specific focus on sulfur-containing functionality.In chemical synthesis, tert-butyl 3-thioxopiperazine-1-carboxylate can act as a key intermediate in the preparation of various biologically active compounds, pharmaceuticals, and agrochemicals. Its thioxo group offers reactivity that enables the introduction of sulfur into target molecules, imparting desired properties or activities. Additionally, the piperazine ring structure in this compound provides a strategic point for further derivatization, allowing for the incorporation of diverse substituents to fine-tune the compound's chemical and biological properties.Furthermore, tert-butyl 3-thioxopiperazine-1-carboxylate's tert-butyl ester moiety grants enhanced stability and solubility, making it a convenient and reliable precursor in synthetic transformations. Its well-defined structure and reactivity profile make it a valuable asset in the arsenal of synthetic chemists seeking to forge new compounds with tailored properties and functionalities.