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5362-76-5

1-[4-(2-tert-butylphenoxy)butyl]-1H-imidazole is a complex organic compound with the molecular formula C18H26N2O. It is a derivative of imidazole, a heterocyclic aromatic organic compound, and features a 2-tert-butylphenoxybutyl group attached to the imidazole ring. This chemical is known for its potential applications in various fields, such as pharmaceuticals and materials science, due to its unique structure and properties. The presence of the tert-butyl group provides steric hindrance, which can influence its reactivity and interactions with other molecules. The compound's specific applications and properties are not detailed in the provided information, but its structure suggests it may be involved in processes where its electronic and steric effects are significant.

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  • 5362-76-5 Structure

  • Basic information

    1. Product Name: 1-[4-(2-tert-butylphenoxy)butyl]-1H-imidazole
    2. Synonyms:
    3. CAS NO:5362-76-5
    4. Molecular Formula: C13H18N2O2S
    5. Molecular Weight: 272.3853
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 5362-76-5.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 442°C at 760 mmHg
    3. Flash Point: 221.1°C
    4. Appearance: N/A
    5. Density: 0.99g/cm3
    6. Vapor Pressure: 1.35E-07mmHg at 25°C
    7. Refractive Index: 1.526
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 1-[4-(2-tert-butylphenoxy)butyl]-1H-imidazole(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-[4-(2-tert-butylphenoxy)butyl]-1H-imidazole(5362-76-5)
    12. EPA Substance Registry System: 1-[4-(2-tert-butylphenoxy)butyl]-1H-imidazole(5362-76-5)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 5362-76-5(Hazardous Substances Data)

5362-76-5 Usage

Explanation

The molecular formula represents the number of atoms of each element present in a molecule. In this case, the compound has 17 carbon atoms, 27 hydrogen atoms, 2 nitrogen atoms, and 1 oxygen atom.

Explanation

The structure describes the arrangement of atoms and functional groups in the compound. It is a derivative of imidazole, which is a five-membered ring with three carbon atoms and two nitrogen atoms.
3. Imidazole derivative

Explanation

The compound is derived from imidazole, which is a heterocyclic aromatic organic compound. Imidazole derivatives often exhibit biological activities and are used in pharmaceutical applications.
4. Contains a butyl chain

Explanation

The compound has a butyl chain, which is a four-carbon alkyl chain (-CH2CH2CH2CH3) attached to the imidazole ring.
5. Phenyl group attachment

Explanation

A phenyl group (C6H5) is attached to the butyl chain, providing additional structural complexity and potential for interactions with other molecules.
6. Tert-butyl group

Explanation

The compound also contains a tert-butyl group (-C(CH3)3), which is a bulky, sterically hindered group that can influence the compound's reactivity and stability.
7. Research and pharmaceutical applications

Explanation

Due to its imidazole structure and potential biological activities, the compound is often used in research and pharmaceutical applications, such as drug design and development processes.
8. Structural features

Explanation

The compound's structural features, including the imidazole ring, butyl chain, phenyl group, and tert-butyl group, make it useful in drug design and development processes, as they can be modified or interact with other molecules to achieve desired biological effects.

Structure

1-[4-(2-tert-butylphenoxy)butyl]-1H-imidazole

Check Digit Verification of cas no

The CAS Registry Mumber 5362-76-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,3,6 and 2 respectively; the second part has 2 digits, 7 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 5362-76:
(6*5)+(5*3)+(4*6)+(3*2)+(2*7)+(1*6)=95
95 % 10 = 5
So 5362-76-5 is a valid CAS Registry Number.

5362-76-5Relevant articles and documents

Copper-catalyzed direct benzylation or allylation of 1,3-azoles with N -tosylhydrazones

Zhao, Xia,Wu, Guojiao,Zhang, Yan,Wang, Jianbo

supporting information; experimental part, p. 3296 - 3299 (2011/04/24)

Cu-Catalyzed cross-coupling of N-tosylhydrazones with 1,3-azoles leads to the direct C-H benzylation or allylation. Cu carbene migratory insertion is proposed to play the key role in this transformation.

The far-ultraviolet photochemistry of alkylcyclopropenes in solution

Fahie, Brian J.,Leigh, William J.

, p. 1859 - 1867 (2007/10/02)

The photochemistry of 1,3,3-trimethylcyclopropene and 1-tert-butyl-3,3-dimethylcyclopropene has been investigated in hydrocarbon, methanol, and 1-hexene solution with far-ultraviolet (185-228 nm) light.Direct photolysis of the two compounds affords allene, alkyne, and 1,3-diene derivatives, formally as a result of initial bond cleavage to yield vinylcarbene intermediates.Products derived from cleavage of the most substituted (C1-C3) cyclopropene bond account for 60-80percent of the observed mixture in each case.Results from the photolysis of 1,3,3-trimethylcyclopropene-1-13C suggest a second pathway for formation of alkyne products in cyclopropene photochemistry, which occurs in competition with (or by exclusion of) the vinylcarbene -hydrogen migration pathway.The data are consistent with the intermediacy of a vinylidene species, formed by -hydrogen migration/ring opening, although attempts to chemically trap this intermediate with methanol or alkene were unsuccessful.Key words: cyclopropene, photolysis, vinylmethylene, propenylidene, far-UV.

THE REACTION OF α,β-UNSATURATED p-TOSYLHYDRAZONES WITH SULPHUR CHLORIDES

Bellesia, Franco,Grandi, Romano,Pagnoni, Ugo M.,Trave, Roberto

, p. 289 - 292 (2007/10/02)

α,β-Unsaturated p-tosylhydrazones react with tetravalent and divalent sulphur chlorides affording 1,2,3-thiadiazoles in good yields.The necessary methylene group adjacent to the C=N bond may be provided by electrophilic addition of a hydrogen chloride molecule.The major difference in the product distribution in the reactions of unsaturated and saturated p-tosylhydrazones with SOCl2, SCl2 or S2Cl2 is observed with substrates prepared from methyl ketones; on using SOCl2 a more favourable distribution of compounds derived from cyclization on the methyl group is obtained.

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