127222-69-9

Basic information

• Product Name: 2-(4-ISOBUTYLPHENYL)PROPANOHYDRAZIDE
• Synonyms: 2-[4-(ISOBUTYL)PHENYL]PROPIONYL HYDRAZIDE;2-(4-ISOBUTYLPHENYL)PROPANOHYDRAZIDE;2-(4-Isobutylphenyl)propanohydrazide, 95+%
• CAS NO: 127222-69-9
• Molecular Formula: C₁₃H₂₀N₂O
• Molecular Weight: 220.31
• Mol File: 127222-69-9.mol
• Article Data: 35

Chemical Properties

• Melting Point: 76 °C
• Boiling Point: 395.8°C at 760 mmHg
• Flash Point: 193.2°C
• Appearance: /
• Density: 1.023g/cm³
• Vapor Pressure: 1.79E-06mmHg at 25°C
• Refractive Index: 1.528
• CAS DataBase Reference: 2-(4-ISOBUTYLPHENYL)PROPANOHYDRAZIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(4-ISOBUTYLPHENYL)PROPANOHYDRAZIDE(127222-69-9)
• EPA Substance Registry System: 2-(4-ISOBUTYLPHENYL)PROPANOHYDRAZIDE(127222-69-9)

Safety Data

• Hazard Codes: Xi
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g
• Hazardous Substances Data: 127222-69-9(Hazardous Substances Data)

Usage

General Description

2-(4-isobutylphenyl)propanohydrazide is a chemical compound that belongs to the class of organic compounds known as phenylmethylamines. It is a white crystalline solid with the molecular formula C13H20N2O. 2-(4-ISOBUTYLPHENYL)PROPANOHYDRAZIDE is often used in the field of medicinal chemistry and drug discovery as a building block for the synthesis of various pharmaceuticals and bioactive compounds. It is also used as a reagent in chemical reactions for the production of diverse chemical products. Additionally, 2-(4-isobutylphenyl)propanohydrazide has been studied for its potential biological activities, including its effects on the central nervous system and its potential as an anticonvulsant agent. Overall, this chemical compound has diverse applications and properties that make it a valuable tool in both research and industrial settings.

InChI:InChI=1/C13H20N2O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(16)15-14/h4-7,9-10H,8,14H2,1-3H3,(H,15,16)

Upstream product

• 61566-34-5 (+/-)-ibuprofen methyl ester 
• 41283-72-1 ibuprofen ethyl ester 
• 15687-27-1 ibuprofen 
• 230644-97-0 1-(1H-benzo[d][1,2,3]triazol-1-yl)-2-(4-isobutylphenyl)propan-1-one 
• 71381-91-4 (+/-)-2-(4-isobutylphenyl)propanoyl chloride 
• 104400-52-4 2-(4-isobutylphenyl)propionic acid N-oxysuccinimide ester 
• 76167-92-5 (+/-)-1-(2-(4-(2-methylpropyl)phenyl)propanoyl)imidazole 
• 31121-93-4 sodium 2-(4-isobutylphenyl)propionate 

Downstream Products

• 211361-50-1 5-[1-(4-Isobutyl-phenyl)-ethyl]-[1,3,4]oxadiazol-2-ylamine 
• 184706-15-8 C₂₁H₂₇N₃OS 
• 127222-71-3 2-(2-(4-isobutylphenyl)propanoyl)-N-phenylhydrazine-1-carbothioamide 

Relevant articles and documents

Cu(II) complexes of hydrazones–NSAID conjugates: synthesis, characterization and anticancer activity

The hydrazones of nonsteroidal anti-inflammatory drugs (NSAIDs) diclofenac and ibuprofen are synthesized with aldehydes of pyridine and imidazole and are characterized by 1H, 13C and mass spectroscopy. Cu(II) complexes of hydrazones constructed from these ligands possess square planar geometry for bidentate diclofenac-hydrazone and tridentate ibuprofen-hydrazone conjugates with [Cu(L)2] and [Cu(L)Cl] compositions, respectively. The observed irreversible Cu(II)/Cu(I) redox couple in the range of +0.20 to +0.61 V is due to the substantial distortion in the square-planar geometry. ESR studies indicate the appreciably covalent character within M–L bonding due to extensive delocalization of electron from d x2–-y2 orbital. The hydrazone–NSAID conjugates exhibit substantial cytotoxicity against A-549, HCT-116 and MDA-MB-231 cancer cell lines with ibuprofen-imidazole-hydrazone ligand possessing the lowest IC50 (2.26 μM) amongst the synthesized NSAID-conjugates. Interestingly, its Cu(II) complex also displays excellent anticancer activity against MDA-MB- 231 with IC50 value of 3.58 μM. Such a feature may be ascribed to the synergistic association of Cu(II)–NSAID–hydrazone linkage. Thus, conjugation of NSAID with hydrazone and its complexation with a bioactive metal ion may be regarded as a potential strategy for designing of non-platinum anticancer agents.

Biology-oriented drug synthesis (BIODS), in vitro urease inhibitory activity, and in silico studies on ibuprofen derivatives

Abstract: Novel ibuprofen derivatives 1–19 including ibuprofen hydrazide 1, and substituted thiourea derivatives 2–19 were synthesized and characterized by EI-MS, FAB-MS, HREI-MS, HRFAB-MS, 1H-, and 13C-NMR spectroscopic techniques.

Synthesis and Evaluation of Some Phenyl Substituted Azetidine Containing 1, 2, 4-triazole Derivatives as Antibacterial Agents

A novel series of phenyl substituted azetidine containing 1, 2, 4-triazole derivatives 7(a–j) were synthesized and characterized by IR, 1HNMR, 13CNMR, and mass spectroscopy. Synthesized 1, 2, 4-triazole derivatives were subsequently assayed in vitro to investigate their antibacterial activity against Staphylococcus aureus, Pseudomonas aeruginosa, and Escherichia coli using broth dilution method. Compounds 7c, 7d, and 7e exhibited potent inhibitory activities as compared to standard cefotaxime. Further, fluorescence spectral studies were also carried out to ascertain the antibacterial potential of compound 7c against two bacterial strains, that is, P.?aeruginosa and S.?aureus. In docking studies, all the compounds exhibited good docking scores between ?12.04 and ?11.36?kcal/mol and indicated that compounds could act through inhibition of bacterial DNA gyrase (PDB ID 3U2D). Among all, 7c has shown the maximum docking score and found in agreement to in vitro studies. In conclusion, synthesized 1, 2, 4-triazole derivatives holds substantial caliber to be categorized as antibacterial agents.

Facile preparation of new hydrazone compounds and their application for long-term corrosion inhibition of N80 steel in 15% HCl: An experimental study combined with DFTB calculations

Developing safer and environmentally responsible corrosion inhibitors is of great significance for protecting pipelines from corrosion damage during acidizing processes. It is a never-ending task for oil service companies and researchers. Herein, new hydr

Design, synthesis, in vitro evaluation, and docking studies on ibuprofen derived 1,3,4-oxadiazole derivatives as dual α-glucosidase and urease inhibitors

Present study aimed at the discovery of new non-sugar α-glucosidase inhibitors includes synthesis of a series of 1,3,4-oxadiazole based Schiff base derivatives of ibuprofen. Initially oxadiazoles from ibuprofen were synthesized by treating ibuprofen hydra