Isoxazole, 5-(5-(4-(4,5-dihydro-2-oxazolyl)-2-ethylphenoxy)pentyl)-3-methyl-

Base Information

Chemical Name:Isoxazole, 5-(5-(4-(4,5-dihydro-2-oxazolyl)-2-ethylphenoxy)pentyl)-3-methyl-
CAS No.:105639-07-4
Molecular Formula:C20H26 N2 O3
Molecular Weight:342.432
Hs Code.:
ChEMBL ID:CHEMBL127883
DSSTox Substance ID:DTXSID70147234
Wikidata:Q83012489
Mol file:105639-07-4.mol

Synonyms:105639-07-4;Isoxazole, 5-(5-(4-(4,5-dihydro-2-oxazolyl)-2-ethylphenoxy)pentyl)-3-methyl-;Isoxazole, 5-[5-[4-(4,5-dihydro-2-oxazolyl)-2-ethylphenoxy]pentyl]-3-methyl-;5-(5-(4-(4,5-Dihydrooxazol-2-yl)-2-ethylphenoxy)pentyl)-3-methylisoxazole;CHEMBL127883;SCHEMBL9862912;DTXSID70147234;5-[5-[4-(4,5-dihydrooxazol-2-yl)-2-ethyl-phenoxy]pentyl]-3-methyl-isoxazole

Suppliers and Price of Isoxazole, 5-(5-(4-(4,5-dihydro-2-oxazolyl)-2-ethylphenoxy)pentyl)-3-methyl-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of Isoxazole, 5-(5-(4-(4,5-dihydro-2-oxazolyl)-2-ethylphenoxy)pentyl)-3-methyl-

Chemical Property:

Vapor Pressure:2.12E-10mmHg at 25°C
Boiling Point:520.1°Cat760mmHg
Flash Point:268.4°C
Density:1.15g/cm³
XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:342.19434270
Heavy Atom Count:25
Complexity:429

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1=C(C=CC(=C1)C2=NCCO2)OCCCCCC3=CC(=NO3)C

Technology Process of Isoxazole, 5-(5-(4-(4,5-dihydro-2-oxazolyl)-2-ethylphenoxy)pentyl)-3-methyl-

There total 3 articles about Isoxazole, 5-(5-(4-(4,5-dihydro-2-oxazolyl)-2-ethylphenoxy)pentyl)-3-methyl- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 65.0%

: 98033-85-3
5-(5-bromopentyl)-3-methylisoxazole

: 105639-21-2
4-(4,5-Dihydro-oxazol-2-yl)-2-ethyl-phenol; hydrochloride

: 105639-07-4
5-{5-[4-(4,5-Dihydro-oxazol-2-yl)-2-ethyl-phenoxy]-pentyl}-3-methyl-isoxazole

Guidance literature:: With potassium carbonate; sodium iodide; In acetonitrile; for 24h; Heating;
DOI:10.1021/jm00385a021

Reference yield:

: 160127-65-1
ethyl 3-ethyl-4-hydroxybenzoate

: 105639-07-4
5-{5-[4-(4,5-Dihydro-oxazol-2-yl)-2-ethyl-phenoxy]-pentyl}-3-methyl-isoxazole

Guidance literature:: Multi-step reaction with 3 steps

1: 2 h / 135 °C

2: 30 percent / thionyl chloride / various solvent(s) / 1.5 h / 25 °C

3: 65 percent / NaI, K₂CO₃ / acetonitrile / 24 h / Heating

With thionyl chloride; potassium carbonate; sodium iodide; In acetonitrile;
DOI:10.1021/jm00385a021

Reference yield:

: 3-Ethyl-4-hydroxy-N-(2-hydroxy-ethyl)-benzamide

: 105639-07-4
5-{5-[4-(4,5-Dihydro-oxazol-2-yl)-2-ethyl-phenoxy]-pentyl}-3-methyl-isoxazole

Guidance literature:: Multi-step reaction with 2 steps

1: 30 percent / thionyl chloride / various solvent(s) / 1.5 h / 25 °C

2: 65 percent / NaI, K₂CO₃ / acetonitrile / 24 h / Heating

With thionyl chloride; potassium carbonate; sodium iodide; In acetonitrile;
DOI:10.1021/jm00385a021