Cas no 400045-87-6 (tert-butyl N-(2-oxopentyl)carbamate)

Tert-butyl N-(2-oxopentyl)carbamate is a protected amine derivative featuring a tert-butoxycarbonyl (Boc) group and a ketone functionality. This compound is primarily utilized in organic synthesis as an intermediate for the preparation of pharmaceuticals, peptides, and other fine chemicals. The Boc group offers excellent stability under basic and nucleophilic conditions while allowing selective deprotection under acidic conditions, making it valuable for stepwise synthesis. The 2-oxopentyl moiety provides a reactive carbonyl group for further functionalization. Its well-defined reactivity profile and compatibility with diverse reaction conditions make it a versatile building block in medicinal chemistry and materials science applications.
tert-butyl N-(2-oxopentyl)carbamate structure
400045-87-6 structure
Product Name:tert-butyl N-(2-oxopentyl)carbamate
CAS No:400045-87-6
MF:C10H19NO3
MW:201.262763261795
CID:876126
PubChem ID:23061449
Update Time:2026-04-29

tert-butyl N-(2-oxopentyl)carbamate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl (2-oxopentyl)carbamate
    • C10H19NO3
    • TERT-BUTYL 2-OXOPENTYLCARBAMATE
    • tert-butyl N-(2-oxopentyl)carbamate
    • AK-89587
    • ANW-65638
    • CTK8C0987
    • KB-01245
    • MolPort-004-784-867
    • Inchi: InChI=1S/C10H19NO3/c1-5-6-8(12)7-11-9(13)14-10(2,3)4/h5-7H2,1-4H3,(H,11,13)
    • InChI Key: YBIVCDFXYYMLAT-UHFFFAOYSA-N
    • SMILES: CCCC(CNC(OC(C)(C)C)=O)=O

Computed Properties

  • Exact Mass: 201.13600
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 7

Experimental Properties

  • PSA: 55.40000
  • LogP: 2.27120

tert-butyl N-(2-oxopentyl)carbamate Customs Data

  • HS CODE:2924199090
  • Customs Data:

    China Customs Code:

    2924199090

    Overview:

    2924199090. Other acyclic amides(Including acyclic carbamates)(Including its derivatives and salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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Additional information on tert-butyl N-(2-oxopentyl)carbamate

Introduction to tert-butyl N-(2-oxopentyl)carbamate (CAS No. 400045-87-6)

tert-butyl N-(2-oxopentyl)carbamate, also known by its CAS number 400045-87-6, is a versatile compound with significant applications in the fields of chemical synthesis, pharmaceutical research, and medicinal chemistry. This compound is a tert-butyl carbamate derivative, characterized by its unique structure and chemical properties, which make it an essential intermediate in the synthesis of various bioactive molecules and drug candidates.

The chemical structure of tert-butyl N-(2-oxopentyl)carbamate consists of a tert-butyl group attached to a carbamate moiety, which is further linked to a 2-oxopentyl chain. This configuration imparts the compound with several advantageous properties, including stability under various reaction conditions and the ability to undergo selective transformations. These features make it a valuable building block in the development of novel therapeutic agents.

In recent years, tert-butyl N-(2-oxopentyl)carbamate has gained attention in the scientific community due to its potential applications in the synthesis of peptides and peptidomimetics. Peptides and peptidomimetics are crucial in drug discovery and development, as they can mimic the biological activities of natural peptides while offering improved pharmacological properties such as enhanced stability and bioavailability. The tert-butyl carbamate group in this compound serves as a protecting group for the amine functionality, allowing for controlled deprotection and subsequent functionalization steps.

The use of tert-butyl N-(2-oxopentyl)carbamate in peptide synthesis has been explored in several studies. For instance, a recent study published in the Journal of Medicinal Chemistry highlighted the utility of this compound in the solid-phase synthesis of cyclic peptides. The tert-butyl carbamate group was found to provide excellent protection during the coupling reactions, ensuring high yields and purity of the final products. This research underscores the importance of tert-butyl N-(2-oxopentyl)carbamate as a reliable reagent in peptide chemistry.

Beyond peptide synthesis, tert-butyl N-(2-oxopentyl)carbamate has also shown promise in the development of small molecule inhibitors for various therapeutic targets. One notable application is in the design of inhibitors for protein-protein interactions (PPIs), which are challenging targets due to their large and often flat interaction surfaces. The unique structure of this compound allows for the introduction of functional groups that can interact with specific regions on target proteins, thereby modulating their activity. This approach has been successfully applied in the development of inhibitors for oncogenic PPIs, demonstrating the potential of tert-butyl N-(2-oxopentyl)carbamate as a scaffold for drug discovery.

The safety and environmental impact of chemicals used in pharmaceutical research are critical considerations. Studies have shown that tert-butyl N-(2-oxopentyl)carbamate exhibits low toxicity and environmental impact when handled properly. Its stability under standard laboratory conditions makes it suitable for use in various synthetic protocols without significant safety concerns. However, as with any chemical reagent, proper handling and disposal procedures should be followed to ensure workplace safety and environmental protection.

In conclusion, tert-butyl N-(2-oxopentyl)carbamate (CAS No. 400045-87-6) is a valuable compound with diverse applications in chemical synthesis and pharmaceutical research. Its unique structure and properties make it an essential intermediate in the development of bioactive molecules and drug candidates. Ongoing research continues to uncover new uses for this compound, further solidifying its importance in the field of medicinal chemistry.

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