Isoxazole, 5-(4-(2-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)butyl)-3-methyl-

Base Information

Chemical Name:Isoxazole, 5-(4-(2-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)butyl)-3-methyl-
CAS No.:98033-98-8
Molecular Formula:C17H19 Cl N2 O3
Molecular Weight:334.802
Hs Code.:
ChEMBL ID:CHEMBL27550
DSSTox Substance ID:DTXSID70243386
Wikidata:Q83127463

Synonyms:98033-98-8;Isoxazole, 5-(4-(2-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)butyl)-3-methyl-;Isoxazole, 5-[4-[2-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy]butyl]-3-methyl-;CHEMBL27550;SCHEMBL9668279;DTXSID70243386;5-[4-[2-chloro-4-(4,5-dihydrooxazol-2-yl)phenoxy]butyl]-3-methyl-isoxazole

Suppliers and Price of Isoxazole, 5-(4-(2-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)butyl)-3-methyl-

Supply Marketing:

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

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Chemical Property of Isoxazole, 5-(4-(2-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)butyl)-3-methyl-

Chemical Property:

Vapor Pressure:1.86E-10mmHg at 25°C
Boiling Point:521.6°C at 760 mmHg
Flash Point:269.2°C
Density:1.29g/cm³
XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:334.1084202
Heavy Atom Count:23
Complexity:407

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NOC(=C1)CCCCOC2=C(C=C(C=C2)C3=NCCO3)Cl

Technology Process of Isoxazole, 5-(4-(2-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)butyl)-3-methyl-

There total 4 articles about Isoxazole, 5-(4-(2-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)butyl)-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: 69.0%

: 288-42-6
oxazol

: 98033-98-8
5-{4-[2-Chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy]butyl}-3-methylisoxazole

Guidance literature:

Reference yield: 69.0%

: 98033-81-9
3-chloro-4-(4,5-dihydro-2-oxazoyl)phenol hydrochloride

: 98033-94-4
5-(4-bromobutyl)-3-methylisoxazole

: 98033-98-8
5-{4-[2-Chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy]butyl}-3-methylisoxazole

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

Reference yield:

: 16357-41-8
ethyl 3-chloro-4-hydroxybenzoate

: 98033-98-8
5-{4-[2-Chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy]butyl}-3-methylisoxazole

Guidance literature:: Multi-step reaction with 3 steps

1: 82 percent / 2 h / 135 °C

2: 97.7 percent / thionyl chloride / various solvent(s) / 1.5 h / 25 °C

3: 69 percent / NaI, K₂CO₃ / acetonitrile / 24 h / Heating

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