Cas no 1027511-67-6 (tert-Butyl 2-propylpiperazine-1-carboxylate)

Tert-Butyl 2-propylpiperazine-1-carboxylate is a protected piperazine derivative commonly employed as an intermediate in organic synthesis and pharmaceutical research. Its key advantages include the tert-butoxycarbonyl (Boc) protecting group, which enhances stability and facilitates selective deprotection under mild acidic conditions. The propyl substituent at the 2-position introduces steric and electronic modifications, making it useful for structure-activity studies in drug development. This compound is particularly valuable in peptide chemistry and the synthesis of heterocyclic scaffolds due to its compatibility with a wide range of reaction conditions. High purity and well-defined reactivity further underscore its utility in precision synthetic applications.
tert-Butyl 2-propylpiperazine-1-carboxylate structure
1027511-67-6 structure
Product Name:tert-Butyl 2-propylpiperazine-1-carboxylate
CAS No:1027511-67-6
MF:C12H24N2O2
MW:228.331163406372
MDL:MFCD08273955
CID:830983
PubChem ID:21896482
Update Time:2025-10-10

tert-Butyl 2-propylpiperazine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 2-propylpiperazine-1-carboxylate
    • 1-Boc -2-propyl-piperazine
    • 1-N-Boc-2-propylpiperazine
    • 3,6-dimethyl-5-nitropyridin-2-ol
    • (S)-2-PROPYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
    • 2-Propyl-1-piperazinecarboxylic acid tert-butyl ester
    • DB-013605
    • E84246
    • SB12576
    • DB-013643
    • MFCD08273955
    • EN300-1879339
    • 1-Boc-2-propyl-piperazine
    • SB12575
    • DB-013794
    • AS-79965
    • DTXSID00619631
    • tert-Butyl2-propylpiperazine-1-carboxylate
    • CRB51167
    • BCP11672
    • 1-Piperazinecarboxylic acid, 2-propyl-, 1,1-dimethylethyl ester
    • 1-Boc-2-propylpiperazine
    • (2R)-2-Propyl-1-piperazinecarboxylic acid tert-butyl ester
    • 1027511-67-6
    • SCHEMBL5081566
    • AKOS005258578
    • MDL: MFCD08273955
    • Inchi: 1S/C12H24N2O2/c1-5-6-10-9-13-7-8-14(10)11(15)16-12(2,3)4/h10,13H,5-9H2,1-4H3
    • InChI Key: PYTGOQORCFQPSZ-UHFFFAOYSA-N
    • SMILES: N1(C(OC(C)(C)C)=O)CCNCC1CCC

Computed Properties

  • Exact Mass: 228.18400
  • Monoisotopic Mass: 228.183778013g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 236
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 41.6?2

Experimental Properties

  • Density: 0.972
  • PSA: 41.57000
  • LogP: 2.26210

tert-Butyl 2-propylpiperazine-1-carboxylate Customs Data

  • HS CODE:2933599090
  • Customs Data:

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. 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:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

tert-Butyl 2-propylpiperazine-1-carboxylate Pricemore >>

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Additional information on tert-Butyl 2-propylpiperazine-1-carboxylate

Comprehensive Overview of tert-Butyl 2-propylpiperazine-1-carboxylate (CAS No. 1027511-67-6)

tert-Butyl 2-propylpiperazine-1-carboxylate (CAS No. 1027511-67-6) is a specialized organic compound widely utilized in pharmaceutical research and fine chemical synthesis. This piperazine derivative is particularly valued for its role as a building block in drug discovery, owing to its unique structural properties. The compound features a tert-butyl carboxylate group and a propyl side chain, which enhance its reactivity and solubility in organic solvents. Researchers frequently employ it in the development of bioactive molecules, especially those targeting neurological and cardiovascular applications.

In recent years, the demand for tert-Butyl 2-propylpiperazine-1-carboxylate has surged due to its relevance in high-throughput screening and combinatorial chemistry. With the growing interest in personalized medicine and small-molecule therapeutics, this compound has become a focal point in academic and industrial labs. Its CAS No. 1027511-67-6 is often searched alongside terms like "piperazine-based intermediates" and "N-Boc protection strategies," reflecting its niche yet critical role in synthetic chemistry.

The synthesis of tert-Butyl 2-propylpiperazine-1-carboxylate typically involves multi-step organic reactions, including amidation and alkylation processes. Its tert-butyloxycarbonyl (Boc) group serves as a protective moiety, enabling selective functionalization of the piperazine ring. This attribute is particularly advantageous in peptide mimetics and heterocyclic drug design, where precision in molecular architecture is paramount. Analysts highlight its compatibility with green chemistry principles, as modern protocols increasingly emphasize solvent-free or catalytic methods for its production.

From an analytical perspective, tert-Butyl 2-propylpiperazine-1-carboxylate is characterized using advanced techniques such as NMR spectroscopy, mass spectrometry, and HPLC. These methods ensure high purity (>98%), a critical factor for its application in GMP-compliant pharmaceutical manufacturing. The compound’s stability under ambient conditions further bolsters its utility in long-term storage and global supply chains, addressing key logistical concerns in the chemical industry.

Emerging trends in AI-driven drug discovery have also spotlighted tert-Butyl 2-propylpiperazine-1-carboxylate as a candidate for virtual screening libraries. Computational models frequently incorporate its scaffold to predict ADMET properties (Absorption, Distribution, Metabolism, Excretion, and Toxicity), aligning with the industry’s shift toward data-driven R&D. Searches for "CAS 1027511-67-6 supplier" or "Boc-piperazine derivatives" often correlate with these advancements, underscoring its interdisciplinary relevance.

In summary, tert-Butyl 2-propylpiperazine-1-carboxylate (CAS No. 1027511-67-6) exemplifies the intersection of traditional synthetic chemistry and cutting-edge pharmaceutical innovation. Its versatility, coupled with stringent quality standards, positions it as a cornerstone in the development of next-generation therapeutics. As research continues to explore its potential, this compound remains a subject of both scientific and commercial interest.

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