Cas no 1126621-86-0 (tert-Butyl piperazine-1-carboxylate-2,2,3,3,5,5,6,6-d)

tert-Butyl piperazine-1-carboxylate-2,2,3,3,5,5,6,6-d structure
1126621-86-0 structure
Product Name:tert-Butyl piperazine-1-carboxylate-2,2,3,3,5,5,6,6-d
CAS No:1126621-86-0
MF:C9H18N2O2
MW:194.300715923309
MDL:MFCD08705174
CID:1059262
PubChem ID:45038414
Update Time:2025-07-18

tert-Butyl piperazine-1-carboxylate-2,2,3,3,5,5,6,6-d Chemical and Physical Properties

Names and Identifiers

    • N-Boc-piperazine-d8
    • tert-butyl 1-piperazine-2,2,3,3,5,5,6,6-d8-carboxylate
    • tert-Butyl piperazine-1-carboxylate-2,2,3,3,5,5,6,6-d
    • HY-W454945S
    • CS-0541483
    • PB39620
    • SCHEMBL9984737
    • tert-butyl (2,2,3,3,5,5,6,6-?H?)piperazine-1-carboxylate
    • MFCD08705174
    • tert-Butylpiperazine-1-carboxylate-2,2,3,3,5,5,6,6-d8
    • AS-78680
    • Piperazine-d8-N-t-BOC
    • P18070
    • 1-Piperazine-2,2,3,3,5,5,6,6-d8-carboxylic acid, 1,1-dimethylethyl ester; N-Boc-piperazine-d8
    • tert-butyl piperazine-1-carboxylate-2,2,3,3,5,5,6,6-d8
    • tert-butyl 2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carboxylate
    • 1126621-86-0
    • DA-76914
    • MDL: MFCD08705174
    • Inchi: 1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3/i4D2,5D2,6D2,7D2
    • InChI Key: CWXPZXBSDSIRCS-DUSUNJSHSA-N
    • SMILES: O(C(N1C([2H])([2H])C([2H])([2H])NC([2H])([2H])C1([2H])[2H])=O)C(C)(C)C

Computed Properties

  • Exact Mass: 194.187041789g/mol
  • Monoisotopic Mass: 194.187041789g/mol
  • Isotope Atom Count: 8
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 181
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.5
  • Topological Polar Surface Area: 41.6?2

tert-Butyl piperazine-1-carboxylate-2,2,3,3,5,5,6,6-d Pricemore >>

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Additional information on tert-Butyl piperazine-1-carboxylate-2,2,3,3,5,5,6,6-d

Introduction to Tert-Butyl Piperazine-1-Carboxylate-2,2,3,3,5,5,6,6-d (CAS No. 1126621-86-0)

Tert-butyl piperazine-1-carboxylate-2,2,3,3,5,5,6,6-d is a specialized chemical compound that has garnered significant attention in the field of pharmaceutical research and development. This compound, identified by its CAS number 1126621-86-0, is a derivative of piperazine and features a series of substituents that enhance its utility in various biochemical applications. The molecular structure of this compound includes multiple stereocenters and functional groups, making it a versatile intermediate in the synthesis of more complex molecules.

The< strong>tert-butyl piperazine-1-carboxylate-2,2,3,3,5,5,6,6-d molecule is particularly interesting due to its potential role in the development of novel therapeutic agents. Piperazine derivatives are well-known for their broad spectrum of biological activities, including antipsychotic, antihistaminic, and antimicrobial properties. The specific substitution pattern in this compound not only enhances its solubility and stability but also modulates its interaction with biological targets.

Recent advancements in medicinal chemistry have highlighted the importance of stereoelectronic effects in drug design. The< strong>tert-butyl group incorporated into the piperazine ring introduces steric hindrance and electronic modifications that can significantly influence the compound's pharmacokinetic and pharmacodynamic profiles. This feature makes it an attractive candidate for further exploration in drug discovery programs.

In the context of modern pharmaceutical research, the< strong>piperazine-1-carboxylate moiety serves as a crucial pharmacophore. This group is frequently found in bioactive molecules and contributes to their binding affinity and selectivity. The presence of multiple fluorine atoms at positions 2, 3, 5, 5', 6', and 6 in the< strong>tert-butyl piperazine-1-carboxylate-2,2,3,3,5,5,6,6-d structure further enhances its potential as a lead compound. Fluorine substitution is a common strategy in medicinal chemistry to improve metabolic stability and binding interactions.

The synthesis of< strong>tert-butyl piperazine-1-carboxylate-2,2,3,3,5,5,6,6-d involves multi-step organic reactions that require precise control over reaction conditions. Advanced synthetic techniques such as transition metal catalysis and asymmetric hydrogenation have been employed to achieve high yields and enantioselectivity. These methods are essential for producing compounds with optimal biological activity while minimizing unwanted byproducts.

One of the most compelling aspects of this compound is its potential application in the treatment of neurological disorders. Piperazine derivatives have shown promise in preclinical studies as modulators of neurotransmitter systems. The specific stereochemistry of< strong>tert-butyl piperazine-1-carboxylate-2,2,3,3,5,5,6,6-d may enable it to interact selectively with certain receptors or enzymes involved in neurodegenerative diseases such as Alzheimer's and Parkinson's.

Evidence from recent research indicates that fluorinated piperazine derivatives exhibit enhanced binding affinity to target proteins compared to their non-fluorinated counterparts. This observation underscores the importance of< strong>piperazine-1-carboxylate as a pharmacophoric element in drug design. The< strong>tert-butyl group, by virtue of its steric bulk and electronic properties? further refines the compound's interaction profile.

The< strong>CAS no. 1126621-86-0 designation ensures that researchers can reliably obtain this compound for their studies. Chemical suppliers specializing in fine chemicals provide high-purity samples that meet stringent quality standards. These materials are essential for conducting rigorous biological assays and structural elucidation experiments.

In conclusion,the< strong>tert-butyl piperazine-1-carboxylate-2,2,3,3,5,5,6,6-d represents a significant advancement in pharmaceutical chemistry。 Its unique structural features make it a valuable tool for developing novel therapeutic agents。 Ongoing research continues to uncover new applications for this compound, highlighting its potential to address unmet medical needs。

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