Cas no 1082950-23-9 (acetic acid; tert-butyl 4-carbamimidoylpiperidine-1-carboxylate)

Acetic acid is a versatile organic compound with the formula CH?COOH, widely used as a solvent, reagent, and precursor in chemical synthesis. It exhibits excellent solvation properties for polar and nonpolar compounds, making it valuable in industrial and laboratory applications. tert-Butyl 4-carbamimidoylpiperidine-1-carboxylate is a protected intermediate in organic synthesis, particularly in the preparation of piperidine derivatives. The tert-butyloxycarbonyl (Boc) group enhances stability, while the carbamimidoyl moiety allows further functionalization, making it useful in medicinal chemistry and peptide synthesis. Its high purity and well-defined structure ensure consistent performance in complex reactions. Both compounds are essential in pharmaceutical and fine chemical manufacturing.
acetic acid; tert-butyl 4-carbamimidoylpiperidine-1-carboxylate structure
1082950-23-9 structure
Product Name:acetic acid; tert-butyl 4-carbamimidoylpiperidine-1-carboxylate
CAS No:1082950-23-9
MF:C13H25N3O4
MW:287.355303525925
CID:1082841
PubChem ID:66650050
Update Time:2025-11-07

acetic acid; tert-butyl 4-carbamimidoylpiperidine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 4-carbamimidoylpiperidine-1-carboxylate acetate
    • acetic acid,tert-butyl 4-carbamimidoylpiperidine-1-carboxylate
    • acetic acid; tert-butyl 4-carbamimidoylpiperidine-1-carboxylate
    • EN300-153035
    • 1082950-23-9
    • A898725
    • tert-butyl4-carbamimidoylpiperidine-1-carboxylateacetate
    • Z1723849161
    • BXAWPZRUJPOEJT-UHFFFAOYSA-N
    • DB-371976
    • G29743
    • SCHEMBL311631
    • F1919-6823
    • AKOS022178865
    • 4-carbamimidoyl-piperidine-1-carboxylic acid tert-butyl ester acetic acid salt
    • Acetic acid--tert-butyl 4-carbamimidoylpiperidine-1-carboxylate (1/1)
    • DTXSID70735514
    • acetic acid;tert-butyl 4-carbamimidoylpiperidine-1-carboxylate
    • 1-Piperidinecarboxylic acid, 4-(aminoiminomethyl)-, 1,1-dimethylethyl ester, acetate (1:1)
    • MDL: MFCD18801140
    • Inchi: 1S/C11H21N3O2.C2H4O2/c1-11(2,3)16-10(15)14-6-4-8(5-7-14)9(12)13;1-2(3)4/h8H,4-7H2,1-3H3,(H3,12,13);1H3,(H,3,4)
    • InChI Key: BXAWPZRUJPOEJT-UHFFFAOYSA-N
    • SMILES: O(C(C)(C)C)C(N1CCC(C(=N)N)CC1)=O.OC(C)=O

Computed Properties

  • Exact Mass: 287.18450629g/mol
  • Monoisotopic Mass: 287.18450629g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 307
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 117?2

acetic acid; tert-butyl 4-carbamimidoylpiperidine-1-carboxylate Pricemore >>

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Additional information on acetic acid; tert-butyl 4-carbamimidoylpiperidine-1-carboxylate

Acetic Acid; tert-butyl 4-carbamimidoylpiperidine-1-carboxylate: A Comprehensive Overview

The compound with CAS No. 1082950-23-9, commonly referred to as tert-butyl 4-carbamimidoylpiperidine-1-carboxylate, is a significant molecule in the field of organic chemistry. This compound has garnered attention due to its unique structural properties and potential applications in various industries. The molecule consists of a piperidine ring substituted with a carbamimidoyl group and a tert-butyl ester, making it a versatile building block for further chemical modifications.

Recent studies have highlighted the importance of tert-butyl 4-carbamimidoylpiperidine-1-carboxylate in drug discovery and development. Its structure allows for easy functionalization, enabling researchers to explore its potential as a precursor for bioactive compounds. For instance, the piperidine ring is known for its ability to form hydrogen bonds, which is crucial in drug-receptor interactions. This property has led to investigations into its role as a scaffold for designing novel pharmaceutical agents.

One of the most promising applications of this compound is in the synthesis of acetic acid derivatives. Acetic acid, a fundamental organic compound, finds extensive use in industries ranging from food production to pharmaceuticals. The tert-butyl ester group in the molecule facilitates controlled release of acetic acid during reactions, making it an ideal intermediate in the production of acetic acid-based products. This has been particularly useful in the development of eco-friendly chemical processes that minimize waste and improve efficiency.

Moreover, advancements in computational chemistry have enabled researchers to predict the reactivity and stability of tert-butyl 4-carbamimidoylpiperidine-1-carboxylate with greater accuracy. Quantum mechanical calculations have revealed that the molecule exhibits favorable electronic properties, which enhance its reactivity towards nucleophilic substitutions and other key organic reactions. These insights have paved the way for innovative synthetic strategies that leverage this compound's unique characteristics.

In terms of synthesis, tert-butyl 4-carbamimidoylpiperidine-1-carboxylate can be prepared via a variety of methods, including nucleophilic substitution and coupling reactions. One popular approach involves the reaction of piperidine derivatives with carbamimidoylating agents under specific conditions. The use of tert-butyl groups as protecting agents has been shown to significantly improve reaction yields and selectivity, making this method highly efficient.

The integration of tert-butyl 4-carbamimidoylpiperidine-1-carboxylate into medicinal chemistry has opened new avenues for developing bioactive molecules. For example, researchers have successfully utilized this compound as a starting material for synthesizing inhibitors of key enzymes involved in diseases such as cancer and neurodegenerative disorders. Its ability to modulate enzyme activity through strategic functionalization underscores its potential as a valuable tool in drug design.

Another area where this compound has shown promise is in materials science. The piperidine ring's ability to form stable amide bonds makes it an attractive candidate for designing polymeric materials with tailored properties. Recent studies have demonstrated that polymers derived from tert-butyl 4-carbamimidoylpiperidine-1-carboxylate exhibit excellent mechanical strength and thermal stability, making them suitable for applications in advanced composites and coatings.

In conclusion, tert-butyl 4-carbamimidoylpiperidine-1-carboxylate (CAS No. 1082950-23-9) is a multifaceted compound with significant potential across various scientific domains. Its structural versatility, combined with recent advancements in synthetic and computational techniques, positions it as a key player in future research and development efforts. As scientists continue to explore its properties and applications, this compound is poised to make substantial contributions to fields ranging from pharmaceuticals to materials science.

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