Cas no 438616-66-1 (2-(4-tert-Butylphenyl)cyclopropanecarbohydrazide)

2-(4-tert-Butylphenyl)cyclopropanecarbohydrazide is a specialized cyclopropane derivative featuring a tert-butylphenyl substituent and a carbohydrazide functional group. This compound is of interest in organic synthesis and pharmaceutical research due to its unique structural framework, which combines steric hindrance from the tert-butyl group with the reactivity of the carbohydrazide moiety. Its cyclopropane ring enhances rigidity, potentially improving binding affinity in ligand design. The tert-butyl group contributes to increased lipophilicity, influencing solubility and stability. This compound may serve as a key intermediate in the development of bioactive molecules, particularly in agrochemical or medicinal chemistry applications, where tailored steric and electronic properties are critical.
2-(4-tert-Butylphenyl)cyclopropanecarbohydrazide structure
438616-66-1 structure
Product Name:2-(4-tert-Butylphenyl)cyclopropanecarbohydrazide
CAS No:438616-66-1
MF:C14H20N2O
MW:232.321403503418
MDL:MFCD01919592
CID:327230
PubChem ID:589199
Update Time:2025-10-11

2-(4-tert-Butylphenyl)cyclopropanecarbohydrazide Chemical and Physical Properties

Names and Identifiers

    • Cyclopropanecarboxylicacid, 2-[4-(1,1-dimethylethyl)phenyl]-, hydrazide
    • 2-(4-tert-butylphenyl)cyclopropane-1-carbohydrazide
    • 2-(4-TERT-BUTYLPHENYL)CYCLOPROPANECARBOHYDRAZIDE
    • 2-[4-(tert-butyl)phenyl]cyclopropanecarbohydrazide
    • AC1LBUG1
    • ALBB-002489
    • CTK1D5366
    • Oprea1_054744
    • SBB019653
    • SureCN1829983
    • 438616-66-1
    • 2-(4-(tert-Butyl)phenyl)cyclopropanecarbohydrazide
    • VS-04968
    • EN300-227729
    • AKOS000304308
    • Cyclopropanecarbohydrazide, 2-[4-(1,1-dimethylethyl)phenyl]-
    • MFCD01919592
    • CS-0272936
    • 2-(4-tert-Butylphenyl)cyclopropanecarbohydrazide #
    • 2-(4-(Tert-butyl)phenyl)cyclopropane-1-carbohydrazide
    • DTXSID20343345
    • 2-(4-tert-Butyl-phenyl)-cyclopropanecarboxylic acid hydrazide
    • 2-(4-ter-butylphenyl)cyclopropanecarbohydrazide
    • 2-[4-(TERT-BUTYL)PHENYL]-1-CYCLOPROPANECARBOHYDRAZIDE
    • AB01334497-02
    • Cyclopropanecarboxylic acid,2-[4-(1,1-dimethylethyl)phenyl]-,hydrazide(9ci)
    • NCGC00342843-01
    • SCHEMBL1829983
    • 2-(4-tert-Butylphenyl)cyclopropanecarbohydrazide
    • MDL： MFCD01919592
    • Inchi： 1S/C14H20N2O/c1-14(2,3)10-6-4-9(5-7-10)11-8-12(11)13(17)16-15/h4-7,11-12H,8,15H2,1-3H3,(H,16,17)
    • InChI Key： XWQNNQGLRZLURU-UHFFFAOYSA-N
    • SMILES： O=C(C1CC1C1C=CC(=CC=1)C(C)(C)C)NN

Computed Properties

  • Exact Mass: 232.1577
  • Monoisotopic Mass: 232.157563266g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 287
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.3
  • Topological Polar Surface Area: 55.1?2

Experimental Properties

  • PSA: 55.12

2-(4-tert-Butylphenyl)cyclopropanecarbohydrazide Pricemore >>

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2-(4-tert-Butylphenyl)cyclopropanecarbohydrazide Related Literature

Related Categories

Additional information on 2-(4-tert-Butylphenyl)cyclopropanecarbohydrazide

2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide: A Comprehensive Overview

The compound 2-(4-tert-butylphenyl)cyclopropanecarbohydrazide, identified by the CAS number CAS No. 438616-66-1, is a significant molecule in the field of organic chemistry and pharmaceutical research. This compound has garnered attention due to its unique structural properties and potential applications in drug development and material science.

Recent studies have highlighted the importance of cyclopropane derivatives in medicinal chemistry, particularly for their ability to modulate biological targets with high precision. The presence of the tert-butylphenyl group in this compound adds to its stability and bioavailability, making it a promising candidate for various therapeutic interventions.

The synthesis of 2-(4-tert-butylphenyl)cyclopropanecarbohydrazide involves a multi-step process that includes the formation of a cyclopropane ring and subsequent functionalization with a carbohydrazide group. Researchers have optimized these steps to enhance yield and purity, ensuring scalability for potential large-scale production.

In terms of applications, this compound has shown potential in the development of anti-cancer agents due to its ability to inhibit specific enzymes involved in tumor progression. Additionally, its unique electronic properties make it a candidate for use in advanced materials such as semiconductors and optoelectronic devices.

Recent advancements in computational chemistry have allowed for detailed modeling of the molecular interactions of CAS No. 438616-66-1. These studies provide insights into its binding affinity with various biological targets, further validating its potential in therapeutic applications.

The toxicity profile of this compound has also been extensively studied, with findings indicating low acute toxicity under standard experimental conditions. However, long-term effects and potential bioaccumulation remain areas requiring further investigation.

In conclusion, 2-(4-tert-butylphenyl)cyclopropanecarbohydrazide, or CAS No. 438616-66-1, represents a valuable addition to the arsenal of compounds being explored for their therapeutic and industrial applications. With ongoing research and development, this molecule holds the promise of contributing significantly to future innovations in medicine and materials science.

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