43100-38-5

Basic information

• Product Name: 4-tert-Butylbenzhydrazide
• Synonyms: Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide;p-tert-butylbenzohydrazide;LABOTEST-BB LT00454438;BUTTPARK 44\03-79;AKOS BBS-00004509;4-TERT-BUTYLBENZHYRAZIDE;4-TERT-BUTYLBENZOHYDRAZIDE;4-TERT-BUTYLBENZOIC ACID HYDRAZIDE
• CAS NO: 43100-38-5
• Molecular Formula: C₁₁H₁₆N₂O
• Molecular Weight: 192.26
• EINECS: 256-090-9
• Product Categories: Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes;Benzenes;Carbonyl Compounds;Hydrazides;Organic Building Blocks;Building Blocks;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks
• Mol File: 43100-38-5.mol
• Article Data: 41

Chemical Properties

• Melting Point: 120-127 °C(lit.)
• Appearance: white to light beige crystalline powder
• Density: 1.046 g/cm³
• Refractive Index: 1.534
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• Solubility: soluble in Methanol
• PKA: 12.82±0.10(Predicted)
• BRN: 1104663
• CAS DataBase Reference: 4-tert-Butylbenzhydrazide(CAS DataBase Reference)
• NIST Chemistry Reference: 4-tert-Butylbenzhydrazide(43100-38-5)
• EPA Substance Registry System: 4-tert-Butylbenzhydrazide(43100-38-5)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 24/25-36/37-26-37
• WGK Germany: 3
• TSCA: Yes
• HazardClass: IRRITANT
• Hazardous Substances Data: 43100-38-5(Hazardous Substances Data)

Usage

Description

4-tert-Butylbenzhydrazide is an organic compound with the chemical formula C11H16N2O. It is a derivative of benzhydrazide, featuring a tert-butyl group attached to the benzene ring. 4-tert-Butylbenzhydrazide is known for its potential applications in various chemical and pharmaceutical processes due to its unique structural properties.

Uses

Used in Pharmaceutical Industry:
4-tert-Butylbenzhydrazide is used as an intermediate in the synthesis of various pharmaceutical compounds. Its ability to form stable derivatives and participate in chemical reactions makes it a valuable component in the development of new drugs.
Used in Organic Synthesis:
In the field of organic synthesis, 4-tert-Butylbenzhydrazide is used as a building block for the creation of complex organic molecules. Its reactivity and structural features allow it to be incorporated into a wide range of chemical structures, facilitating the synthesis of target compounds.
Specific Application:
4-tert-Butylbenzhydrazide is used in the synthesis of 2-(2-methylphenyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole. 4-tert-Butylbenzhydrazide is an example of how 4-tert-Butylbenzhydrazide can be utilized in the preparation of heterocyclic compounds, which are important in various applications, including pharmaceuticals, agrochemicals, and materials science. The synthesis of such oxadiazoles demonstrates the versatility of 4-tert-Butylbenzhydrazide in organic chemistry and its potential for further exploration in the development of novel compounds.

InChI:InChI=1/C11H16N2O/c1-11(2,3)9-6-4-8(5-7-9)10(14)13-12/h4-7H,12H2,1-3H3,(H,13,14)

Upstream product

• 939-97-9 4-tert-Butylbenzaldehyde 
• 6282-27-5 propyl 4-tert-butylbenzoate 
• 98-73-7 4-(1,1-dimethylethyl)benzoic acid 
• 109-02-4 4-methyl-morpholine 
• 543-27-1 isobutyl chloroformate 
• 1710-98-1 p-tert-butyl benzoyl chloride 
• 5406-57-5 ethyl 4-tert-butylbenzoate 
• 26537-19-9 methyl 4-tert-butylbenzoate 

Downstream Products

• 109352-37-6 4-tert-butyl-N′-(1-(pyridin-2-yl)ethylidene)benzohydrazide 
• 1004679-42-8 1-(4'-t-butylbenzoyl)-2-(2,5-dimethylbenzoyl) hydrazine 
• 867375-99-3 C₁₅H₁₈N₄O₂ 
• 1196894-30-0 3-(4-tert-Butylphenyl)-4-(4-fluorobenzyl)-4H-[1,2,4]triazole 
• 477862-37-6 2-(4-tert-Butylphenyl)-5-methyl-[1,3,4]oxadiazole 
• 306936-90-3 5-(4-(tert-butyl)phenyl)-1,3,4-oxadiazole-2-thiol 
• 1337966-32-1 C₁₅H₂₁N₃O₃ 
• 1337966-36-5 C₃₄H₃₉N₇O₇ 
• 1011667-74-5 1-(4-bromophenyl)-2-(5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-ylthio)ethanone 

Relevant articles and documents

Physicochemical properties of 4-tert-butylbenzoic acid N′,N′- dialkylhydrazides

Properties of hydrazides of 4-tert-butylbenzoic acid, important for their application in extraction technology, have been studied: solubility, acid-base properties, distribution between immiscible liquids, and hydrolytic stability. pH ranges of existence

Design, synthesis, and biological evaluation of phenyloxadiazole derivatives as potential antifungal agents against phytopathogenic fungi

Abstract: A novel series of picarbutrazox-inspired oxadiazole hybrids was synthesized and the derivatives’ biological activity against phytopathogenic fungi was investigated. The molecules were designed by retaining the active fragment of tetrazolyl phenyloxime ether of lead compound picarbutrazox, while introducing the potentially active oxadiazole-derived fragment. Bioassay results revealed that some of the title compounds showed potent in vivo antifungal activities to control cucumber downy mildew. Therefore, this novel oxadiazole phenyloxadiazole derivative can be used as a potential antifungal agent to control cucumber downy mildew and other phytopathogenic fungi for crop protection. Graphic abstract: [Figure not available: see fulltext.].

Discovery of [1,2,4]triazole derivatives as new metallo-β-lactamase inhibitors

The emergence and spread of metallo-β-lactamase (MBL)-mediated resistance to β-lactam antibacterials has already threatened the global public health. A clinically useful MBL inhibitor that can reverse β-lactam resistance has not been established yet. We here report a series of [1,2,4]triazole derivatives and analogs, which displayed inhibition to the clinically relevant subclass B1 (Verona integron-encoded MBL-2) VIM-2. 3-(4-Bromophenyl)-6,7-dihydro-5H-[1,2,4]triazolo [3,4-b][1,3]thiazine (5l) manifested the most potent inhibition with an IC50 (half-maximal inhibitory concentration) value of 38.36 μM. Investigations of 5l against other B1 MBLs and the serine β-lactamases (SBLs) revealed the selectivity to VIM-2. Molecular docking analyses suggested that 5l bound to the VIM-2 active site via the triazole involving zinc coordination and made hydrophobic interactions with the residues Phe61 and Tyr67 on the flexible L1 loop. This work provided new triazole-based MBL inhibitors and may aid efforts to develop new types of inhibitors combating MBL-mediated resistance.