1215852-11-1 | 7-tert-Butyl 3-ethyl 5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,7(8h)-dicarboxylate

Packsize	Purity	Availability	Price	Discounted Price
100mg	95%	in stock	$70.00	$49.00
250mg	95%	in stock	$82.00	$58.00
1g	95%	in stock	$179.00	$125.00
5g	95%	in stock	$573.00	$402.00
10g	95%	in stock	$1,086.00	$760.00

Description

• Catalog Number: AA53346
• Chemical Name: 7-tert-Butyl 3-ethyl 5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,7(8h)-dicarboxylate
• CAS Number: 1215852-11-1
• Molecular Formula: C13H20N4O4
• Molecular Weight: 296.3223
• MDL Number: MFCD11616512
• SMILES: CCOC(=O)c1nnc2n1CCN(C2)C(=O)OC(C)(C)C

Computed Properties

• Complexity: 410
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 21
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• XLogP3: 0.4

Upstream Synthesis Route

In chemical synthesis, 7-tert-Butyl 3-ethyl 5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,7(8H)-dicarboxylate serves as a versatile building block for the creation of complex molecular structures. With its unique combination of functional groups and structural features, this compound acts as a key intermediate in the synthesis of various pharmaceuticals, agrochemicals, and specialty chemicals. Its presence enables chemists to introduce specific functionalities, enhance stereochemistry, and facilitate the formation of intricate molecular frameworks. Moreover, the presence of the tert-butyl and ethyl groups provides steric hindrance and electronic effects that can influence reactivity and selectivity in multi-step synthetic pathways. By incorporating this compound into their synthetic routes, chemists can access a wide range of chemical space and efficiently construct diverse molecules with desired properties and activities.