Cas no 75843-51-5 (2-(2-Isopropyl-5-methylphenoxy)acetohydrazide)

2-(2-Isopropyl-5-methylphenoxy)acetohydrazide is a specialized organic compound featuring a phenoxyacetohydrazide backbone with isopropyl and methyl substituents. Its molecular structure, incorporating both aromatic and hydrazide functional groups, makes it a valuable intermediate in synthetic chemistry, particularly for the development of pharmaceuticals and agrochemicals. The compound exhibits potential as a precursor for biologically active molecules, including antimicrobial or herbicidal agents, due to its reactive hydrazide moiety. Its well-defined purity and stability under standard conditions ensure reliable performance in research and industrial applications. The presence of sterically hindered substituents may also influence its reactivity, offering selectivity in targeted synthetic pathways.
2-(2-Isopropyl-5-methylphenoxy)acetohydrazide structure
75843-51-5 structure
Product Name:2-(2-Isopropyl-5-methylphenoxy)acetohydrazide
CAS No:75843-51-5
MF:C12H18N2O2
MW:222.283523082733
MDL:MFCD00587500
CID:578011
PubChem ID:728509
Update Time:2025-10-29

2-(2-Isopropyl-5-methylphenoxy)acetohydrazide Chemical and Physical Properties

Names and Identifiers

    • 2-(2-Isopropyl-5-methylphenoxy)acetohydrazide
    • (2-ISOPROPYL-5-METHYL-PHENOXY)-ACETIC ACID HYDRAZIDE
    • Acetic acid,2-[5-methyl-2-(1-methylethyl)phenoxy]-, hydrazide
    • 2-[5-methyl-2-(methylethyl)phenoxy]acetohydrazide
    • 2-[5-methyl-2-(propan-2-yl)phenoxy]acetohydrazide
    • 2-isopropyl-5-methylphenoxyacetylhydrazide
    • 2-Isopropyl-5-methylphenoxy-essigsaeurehydrazid
    • AC1LE0VP
    • AC1Q1OJ2
    • AG-H-02406
    • ST039738
    • 2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide
    • Oprea1_320736
    • AKOS000116114
    • AB00078088-01
    • SB86621
    • EN300-03696
    • Oprea1_425675
    • H-imidazo[1,5-a]pyridine-7-carboxylic acid
    • Z56820872
    • MFCD00587500
    • CBDivE_014489
    • VS-01360
    • Cambridge id 5267311
    • 75843-51-5
    • DTXSID60352512
    • CS-0219323
    • STK074750
    • ALBB-002577
    • BBL003524
    • 2-(2-Isopropyl-5-methyl-phenoxy)acetohydrazide
    • MDL: MFCD00587500
    • Inchi: 1S/C12H18N2O2/c1-8(2)10-5-4-9(3)6-11(10)16-7-12(15)14-13/h4-6,8H,7,13H2,1-3H3,(H,14,15)
    • InChI Key: XNNCMHHVTBHQHS-UHFFFAOYSA-N
    • SMILES: O(CC(NN)=O)C1C=C(C)C=CC=1C(C)C

Computed Properties

  • Exact Mass: 222.13694
  • Monoisotopic Mass: 222.136828
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 231
  • 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: 64.4
  • XLogP3: 2

Experimental Properties

  • Density: 1.079
  • Boiling Point: 427.6°C at 760 mmHg
  • Flash Point: 212.4°C
  • Refractive Index: 1.531
  • PSA: 64.35

2-(2-Isopropyl-5-methylphenoxy)acetohydrazide Pricemore >>

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Additional information on 2-(2-Isopropyl-5-methylphenoxy)acetohydrazide

Professional Introduction to Compound with CAS No. 75843-51-5 and Product Name: 2-(2-Isopropyl-5-methylphenoxy)acetohydrazide

The compound in question, identified by the CAS number 75843-51-5, is a specialized chemical entity that has garnered significant attention in the field of pharmaceutical research and development. The product name, 2-(2-Isopropyl-5-methylphenoxy)acetohydrazide, provides a detailed structural insight into its molecular composition, which includes a phenoxy group linked to an acetohydrazide moiety. This unique structural configuration suggests potential applications in medicinal chemistry, particularly in the synthesis of bioactive molecules.

Recent advancements in the field of drug discovery have highlighted the importance of structurally diverse compounds in addressing complex biological targets. The presence of the isopropyl and methyl substituents in the aromatic ring of 2-(2-Isopropyl-5-methylphenoxy)acetohydrazide may contribute to its pharmacological properties by influencing solubility, metabolic stability, and binding affinity to biological receptors. These features are critical in the design of novel therapeutic agents that aim to modulate physiological pathways effectively.

One of the most compelling aspects of this compound is its potential role as a precursor in the synthesis of more complex pharmacophores. The acetohydrazide group is a well-known pharmacological scaffold that has been utilized in various drug molecules due to its ability to form hydrogen bonds and interact with biological targets. Researchers have been exploring derivatives of acetohydrazides for their antimicrobial, anti-inflammatory, and anticancer properties. The specific substitution pattern in 2-(2-Isopropyl-5-methylphenoxy)acetohydrazide may enhance its efficacy in these applications by optimizing its interaction with target enzymes and receptors.

Current research trends indicate that compounds with phenoxy groups are of particular interest due to their versatility in drug design. The phenoxy moiety can serve as a hinge region, allowing for the modulation of molecular interactions through conformational changes. This flexibility makes it an attractive component in the development of small-molecule inhibitors and agonists. Moreover, the isopropyl and methyl groups contribute to steric hindrance, which can be strategically employed to improve binding affinity and reduce off-target effects.

In vitro studies have begun to uncover the mechanistic potential of 2-(2-Isopropyl-5-methylphenoxy)acetohydrazide. Initial experiments suggest that it may exhibit inhibitory activity against certain enzymes implicated in inflammatory responses. The compound's ability to interfere with key signaling pathways could make it a valuable tool for developing novel therapeutics targeting chronic inflammatory diseases. Additionally, its structural features may allow it to cross biological membranes efficiently, enhancing its bioavailability and therapeutic index.

The synthesis of 2-(2-Isopropyl-5-methylphenoxy)acetohydrazide involves multi-step organic reactions that require precise control over reaction conditions to ensure high yield and purity. Advanced synthetic methodologies, such as catalytic hydrogenation and palladium-catalyzed cross-coupling reactions, have been employed to construct the desired molecular framework efficiently. These synthetic strategies not only highlight the compound's complexity but also demonstrate the sophistication of modern pharmaceutical chemistry.

As computational chemistry plays an increasingly pivotal role in drug discovery, virtual screening techniques have been applied to evaluate the potential binding interactions of 2-(2-Isopropyl-5-methylphenoxy)acetohydrazide with biological targets. Molecular docking studies have revealed promising binding affinities with enzymes such as cyclooxygenase (COX) and lipoxygenase (LOX), which are central players in inflammatory processes. These computational findings provide a strong rationale for further exploring the pharmacological properties of this compound.

The future prospects for 2-(2-Isopropyl-5-methylphenoxy)acetohydrazide are promising, with ongoing research aimed at optimizing its chemical structure for improved efficacy and safety profiles. Collaborative efforts between academic institutions and pharmaceutical companies are likely to drive innovation in this area, leveraging interdisciplinary approaches such as structure-based drug design and high-throughput screening technologies. The compound's unique structural features make it a compelling candidate for further investigation in preclinical models.

In conclusion, 75843-51-5 represents a fascinating chemical entity with significant potential in pharmaceutical applications. The product name 2-(2-Isopropyl-5-methylphenoxy)acetohydrazide underscores its complex molecular architecture, which may translate into diverse biological activities. With continued research and development, this compound could emerge as a valuable asset in the quest for novel therapeutic interventions across various disease indications.

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