Cas no 146398-94-9 (tert-butyl piperazine-2-carboxylate)

Tert-butyl piperazine-2-carboxylate is a versatile intermediate in organic synthesis, particularly valued for its role in pharmaceutical and agrochemical applications. Its piperazine core and tert-butyl ester functionality make it a useful building block for constructing complex molecules, offering stability and ease of further derivatization. The compound's sterically hindered tert-butyl group enhances selectivity in reactions, while the carboxylate moiety allows for straightforward modifications. It is commonly employed in the synthesis of active pharmaceutical ingredients (APIs) and fine chemicals, where high purity and consistent performance are critical. Its compatibility with a range of reaction conditions further underscores its utility in research and industrial processes.
tert-butyl piperazine-2-carboxylate structure
146398-94-9 structure
Product Name:tert-butyl piperazine-2-carboxylate
CAS No:146398-94-9
MF:C9H18N2O2
MW:186.251422405243
MDL:MFCD11974962
CID:136082
PubChem ID:11745348
Update Time:2025-05-20

tert-butyl piperazine-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 2-Piperazinecarboxylicacid, 1,1-dimethylethyl ester
    • 2-Piperazinecarboxylicacid,1,1-dimethylethylester(9CI)
    • TERT-BUTYL PIPERAZINE-2-CARBOXYLATE
    • FT-0733981
    • F8887-3069
    • T-Butyl piperazin-2-carboxylate
    • AKOS015911653
    • A884527
    • tert-butyl piperazine-3-carboxylate
    • Tert-butylPiperazine-2-carboxylate
    • tert-Butyl 2-piperazinecarboxylate
    • SCHEMBL20553528
    • EN300-1229238
    • J-524316
    • 146398-94-9
    • AM81368
    • 2-Piperazinecarboxylic acid 1,1-dimethylethyl ester
    • DB-016191
    • tert-butyl piperazine-2-carboxylate
    • MDL: MFCD11974962
    • Inchi: 1S/C9H18N2O2/c1-9(2,3)13-8(12)7-6-10-4-5-11-7/h7,10-11H,4-6H2,1-3H3
    • InChI Key: SYMWANNZAIYCRG-UHFFFAOYSA-N
    • SMILES: O(C(C1CNCCN1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 186.13700
  • Monoisotopic Mass: 186.137
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • 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
  • Topological Polar Surface Area: 41.6A^2
  • XLogP3: 0.1

Experimental Properties

  • Density: 1.002
  • Melting Point: 43-47 oC
  • Boiling Point: 263 oC
  • Flash Point: 113 oC
  • PSA: 50.36000
  • LogP: 0.54710

tert-butyl piperazine-2-carboxylate Security Information

  • Safety Instruction: S26

tert-butyl piperazine-2-carboxylate Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on tert-butyl piperazine-2-carboxylate

TerT-Butyl Piperazine-2-Carboxylate: A Comprehensive Overview

The compound tert-butyl piperazine-2-carboxylate, identified by the CAS number 146398-94-9, is a significant molecule in the field of organic chemistry and pharmaceutical research. This compound, also referred to as tert-butyl piperazine carboxylate, has garnered attention due to its versatile applications in drug design and chemical synthesis. The molecule consists of a piperazine ring, a six-membered saturated ring with two nitrogen atoms, substituted at the 2-position with a tert-butyl ester group. This structure contributes to its unique chemical properties and reactivity.

Recent studies have highlighted the role of tert-butyl piperazine-2-carboxylate in the development of bioactive compounds. Researchers have explored its potential as a building block for constructing complex molecules with therapeutic properties. For instance, the compound has been utilized in the synthesis of antiviral agents, where its ability to form stable amide bonds plays a crucial role. Additionally, its use in the preparation of peptide mimetics has been reported, showcasing its versatility in medicinal chemistry.

The synthesis of tert-butyl piperazine-2-carboxylate involves a multi-step process that typically begins with the preparation of piperazine derivatives. One common approach involves the alkylation of piperazine with tert-butyl bromide, followed by esterification to introduce the carboxylic acid group. This method ensures high purity and yield, making it suitable for large-scale production. Recent advancements in catalytic methods have further optimized this synthesis, reducing reaction times and enhancing efficiency.

In terms of applications, tert-butyl piperazine-2-carboxylate has found utility in various industries beyond pharmaceuticals. For example, it is employed as an intermediate in agrochemicals, where its ability to modulate enzyme activity is leveraged for pest control. Furthermore, its role in polymer chemistry has been explored, with researchers investigating its potential as a monomer for constructing novel materials with tailored properties.

The pharmacokinetic profile of tert-butyl piperazine-2-carboxylate has also been a focus of recent investigations. Studies indicate that the compound exhibits favorable absorption and distribution characteristics, making it an attractive candidate for drug delivery systems. Its stability under physiological conditions further enhances its suitability for therapeutic applications.

In conclusion, tert-butyl piperazine-2-carboxylate, CAS No. 146398-94-9, stands as a pivotal molecule in contemporary chemical research. Its structural features and functional groups make it an invaluable tool in drug discovery and material science. As ongoing research continues to uncover new applications and optimize synthetic routes, this compound is poised to play an even greater role in advancing scientific and industrial endeavors.

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