Cas no 141293-14-3 (Tert-Butyl 2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate)

Tert-Butyl 2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate is a versatile N-Boc-protected pyrrolidone derivative widely used in organic synthesis and pharmaceutical research. Its key advantages include its role as a protected intermediate for the synthesis of biologically active compounds, particularly in the development of peptidomimetics and heterocyclic scaffolds. The tert-butyloxycarbonyl (Boc) group provides stability under basic conditions while allowing selective deprotection under acidic conditions, facilitating controlled functionalization. The compound's rigid pyrrolidone core contributes to conformational constraint in target molecules, enhancing binding affinity and metabolic stability. Its high purity and well-defined reactivity make it a reliable building block for complex molecular architectures.
Tert-Butyl 2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate structure
141293-14-3 structure
Product Name:Tert-Butyl 2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate
CAS No:141293-14-3
MF:C9H13NO3
MW:183.204422712326
MDL:MFCD01318910
CID:137424
PubChem ID:11435337
Update Time:2025-05-21

Tert-Butyl 2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate
    • 1H-Pyrrole-1-carboxylicacid, 2,5-dihydro-2-oxo-, 1,1-dimethylethyl ester
    • 2-OXO-2,5-DIHYDRO-PYRROLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
    • N-Boc-pyrrol-2(5H)-one
    • tert-butyl 5-oxo-2H-pyrrole-1-carboxylate
    • tert-Butyl 2-oxo-3-pyrroline-1-carboxylate
    • N-boc-3-pyrroline-2-one
    • MFJKZXLOHPVLBS-UHFFFAOYSA-N
    • FC0538
    • AB1238
    • SB11599
    • AM84379
    • 1-Boc-2-oxo-2,5-dihydro-1H-pyrrole
    • tert-butyl 2-oxo-3-pyrroline carboxylate
    • 1-Boc-pyrrol-2(5H)-one
    • EN300-196187
    • 2-Oxo-2,5-dihydro-1H-pyrrole-1-carboxylic acid tert-butyl ester
    • DTXSID60465732
    • CS-0048408
    • MFCD01318910
    • AS-44544
    • tert-butyl 5-oxo-2H-pyrrole-1-carboxylate;1-Boc-pyrrol-2(5H)-one
    • tert-Butyl2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate
    • tert-butyl 2-oxo-2,5-dihydro-1H-pyrrol-1-carboxylate
    • AKOS006279537
    • 141293-14-3
    • SY025033
    • SCHEMBL5492828
    • A807747
    • FT-0694537
    • DB-063369
    • Tert-butyl 2-oxo-5H-pyrrole-1-carboxylate
    • Tert-Butyl 2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate
    • MDL: MFCD01318910
    • Inchi: 1S/C9H13NO3/c1-9(2,3)13-8(12)10-6-4-5-7(10)11/h4-5H,6H2,1-3H3
    • InChI Key: MFJKZXLOHPVLBS-UHFFFAOYSA-N
    • SMILES: O(C(N1C(C=CC1)=O)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 183.09000
  • Monoisotopic Mass: 183.08954328g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 263
  • 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: 46.6
  • XLogP3: 1

Experimental Properties

  • Density: 1.168±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 67-68 oC
  • Boiling Point: 241.8±33.0 oC (760 Torr),
  • Flash Point: 100.0±25.4 oC,
  • Solubility: Slightly soluble (6.6 g/l) (25 o C),
  • PSA: 46.61000
  • LogP: 1.25780

Tert-Butyl 2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate Security Information

  • Signal Word:Warning
  • Hazard Statement: H302-H317
  • Warning Statement: P280
  • Storage Condition:Sealed in dry,2-8°C

Tert-Butyl 2-oxo-2,5-dihydro-1H-pyrrole-1-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%

Tert-Butyl 2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate Pricemore >>

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Tert-Butyl 2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate Production Method

Tert-Butyl 2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate Related Literature

Additional information on Tert-Butyl 2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate

Comprehensive Overview of Tert-Butyl 2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate (CAS No. 141293-14-3)

Tert-Butyl 2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate (CAS No. 141293-14-3) is a versatile organic compound widely utilized in pharmaceutical and agrochemical research. This compound belongs to the class of pyrrole derivatives, which are known for their significant biological activities and applications in drug discovery. The tert-butyl group and carboxylate moiety in its structure make it a valuable intermediate for synthesizing more complex molecules.

In recent years, the demand for pyrrole-based compounds has surged due to their role in developing anticancer agents, antimicrobial drugs, and anti-inflammatory medications. Researchers are particularly interested in Tert-Butyl 2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate because of its potential to act as a building block for heterocyclic compounds. Its unique structure allows for further functionalization, enabling the creation of novel therapeutic agents.

The synthesis of Tert-Butyl 2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate typically involves the reaction of pyrrole derivatives with tert-butyl dicarbonate under controlled conditions. This process highlights the compound's relevance in organic synthesis and medicinal chemistry. Its stability and solubility in common organic solvents further enhance its utility in laboratory settings.

One of the most frequently asked questions about Tert-Butyl 2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate is its role in drug development. Recent studies have explored its potential as a precursor for kinase inhibitors, which are crucial in treating various diseases, including cancer and autoimmune disorders. Additionally, its application in peptide synthesis has garnered attention, as it can be used to protect amino groups during solid-phase peptide synthesis (SPPS).

Another area of interest is the compound's use in agrochemical research. Pyrrole derivatives are known for their pesticidal and herbicidal properties, making Tert-Butyl 2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate a candidate for developing new crop protection agents. Its ability to modify biological pathways in pests and weeds underscores its importance in sustainable agriculture.

From a commercial perspective, Tert-Butyl 2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate is available in high purity grades, catering to the needs of pharmaceutical manufacturers and research institutions. Suppliers often provide detailed technical data sheets (TDS) and material safety data sheets (MSDS) to ensure safe handling and compliance with regulatory standards.

In conclusion, Tert-Butyl 2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate (CAS No. 141293-14-3) is a pivotal compound in modern chemistry, bridging the gap between academic research and industrial applications. Its multifaceted uses in drug discovery, peptide synthesis, and agrochemical development make it a subject of ongoing exploration and innovation.

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