Isoxazole, 5-(7-(2-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl-

Base Information

Chemical Name:Isoxazole, 5-(7-(2-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl-
CAS No.:98033-82-0
Molecular Formula:C20H25ClN2O3
Molecular Weight:376.8771
Hs Code.:
ChEMBL ID:CHEMBL25684
DSSTox Substance ID:DTXSID70243381
Wikidata:Q83127458

Synonyms:98033-82-0;Isoxazole, 5-(7-(2-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl-;Isoxazole, 5-[7-[2-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy]heptyl]-3-methyl-;CHEMBL25684;SCHEMBL9667163;DTXSID70243381;LHFDVHPLPOZTCW-UHFFFAOYSA-N;5-[7-[2-chloro-4-(4,5-dihydrooxazol-2-yl)phenoxy]heptyl]-3-methyl-isoxazole;5-{7-[2-Chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy]heptyl}-3-methylisoxazole

Suppliers and Price of Isoxazole, 5-(7-(2-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-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-(7-(2-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl-

Chemical Property:

Vapor Pressure:1.68E-11mmHg at 25°C
Boiling Point:547.9°C at 760 mmHg
Flash Point:285.2°C
Density:1.23g/cm³
XLogP3:5.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:376.1553704
Heavy Atom Count:26
Complexity:449

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NOC(=C1)CCCCCCCOC2=C(C=C(C=C2)C3=NCCO3)Cl

Technology Process of Isoxazole, 5-(7-(2-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl-

There total 3 articles about Isoxazole, 5-(7-(2-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-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: 73.0%

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

: 91945-38-9
7-(3-methylisoxazol-5-yl)heptyl bromide

: 98033-82-0
5-{7-[2-Chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy]heptyl}-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

: 98033-82-0
5-{7-[2-Chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy]heptyl}-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: 73 percent / NaI, K₂CO₃ / acetonitrile / 24 h / Heating

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

Reference yield:

: 98033-80-8
3-chloro-4-hydroxy-N-(2-hydroxyethyl)benzamide

: 98033-82-0
5-{7-[2-Chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy]heptyl}-3-methylisoxazole

Guidance literature:: Multi-step reaction with 2 steps

1: 97.7 percent / thionyl chloride / various solvent(s) / 1.5 h / 25 °C

2: 73 percent / NaI, K₂CO₃ / acetonitrile / 24 h / Heating

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