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

Base Information

Chemical Name:Isoxazole, 5-(7-(4-(4,5-dihydro-5-(methoxymethyl)-2-oxazolyl)phenoxy)heptyl)-3-methyl-
CAS No.:98033-63-7
Molecular Formula:C22H30 N2 O4
Molecular Weight:386.4846
Hs Code.:
ChEMBL ID:CHEMBL58204
DSSTox Substance ID:DTXSID00913500

Synonyms:98033-63-7;Isoxazole, 5-(7-(4-(4,5-dihydro-5-(methoxymethyl)-2-oxazolyl)phenoxy)heptyl)-3-methyl-;Isoxazole, 5-[7-[4-[4,5-dihydro-5-(methoxymethyl)-2-oxazolyl]phenoxy]heptyl]-3-methyl-;CHEMBL58204;SCHEMBL9668056;DTXSID00913500;LJVZYMROJSHUQK-UHFFFAOYSA-N;5-[7-[4-[5-(methoxymethyl)-4,5-dihydrooxazol-2-yl]phenoxy]heptyl]-3-methyl-isoxazole;5-{7-[4-(4,5-dihydro-5-methoxymethyl-2-oxazolyl)phenoxy]heptyl}-3-methylisoxazole;5-(7-{4-[5-(METHOXYMETHYL)-4,5-DIHYDRO-1,3-OXAZOL-2-YL]PHENOXY}HEPTYL)-3-METHYL-1,2-OXAZOLE

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

Chemical Property:

Vapor Pressure:1.91E-11mmHg at 25°C
Boiling Point:546.6°C at 760 mmHg
Flash Point:284.3°C
Density:1.15g/cm³
XLogP3:4.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:12
Exact Mass:386.22055744
Heavy Atom Count:28
Complexity:466

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NOC(=C1)CCCCCCCOC2=CC=C(C=C2)C3=NCC(O3)COC

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

There total 7 articles about Isoxazole, 5-(7-(4-(4,5-dihydro-5-(methoxymethyl)-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:

: 98033-97-7
5-{7-[4-(4,5-dihydro-5-hydroxymethyl-2-oxazolyl)phenoxy]heptyl}-3-methylisoxazole

: 74-88-4
methyl iodide

: 98033-63-7
5-{7-[4-(4,5-dihydro-5-methoxymethyl-2-oxazolyl)phenoxy]heptyl}-3-methylisoxazole

Guidance literature:: With sodium hydride; Yield given. Multistep reaction; 1.) THF, reflux, 15 min, 2.) THF, RT, overnight;
DOI:10.1021/jm00150a025

Reference yield:

: 300-87-8
3,5-dimethyl-1,2-oxazole

: 98033-63-7
5-{7-[4-(4,5-dihydro-5-methoxymethyl-2-oxazolyl)phenoxy]heptyl}-3-methylisoxazole

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) n-butyllithium / 1.) THF, hexane, -70 deg C, 0.5 h, 2.) THF, a) -50 deg C, 1 h, b) 0 deg C, 3 h, c) room temp., overnight

2: 95 percent / HCl gas / diethyl ether / 0 - 20 °C

3: 1.) TEA / 1.) CH₂Cl₂, 1 h, 2.) 120 deg C, 1.5 h

4: 1.) 60 percent NaH / 1.) THF, reflux, 15 min, 2.) THF, RT, overnight

With hydrogenchloride; n-butyllithium; TEA; sodium hydride; In diethyl ether;
DOI:10.1021/jm00150a025

Reference yield:

: 629-03-8
1 ,6-dibromohexane

: 98033-63-7
5-{7-[4-(4,5-dihydro-5-methoxymethyl-2-oxazolyl)phenoxy]heptyl}-3-methylisoxazole

Guidance literature:: Multi-step reaction with 5 steps

1: K₂CO₃ / acetone

2: 1.) n-butyllithium / 1.) THF, hexane, -70 deg C, 0.5 h, 2.) THF, a) -50 deg C, 1 h, b) 0 deg C, 3 h, c) room temp., overnight

3: 95 percent / HCl gas / diethyl ether / 0 - 20 °C

4: 1.) TEA / 1.) CH₂Cl₂, 1 h, 2.) 120 deg C, 1.5 h

5: 1.) 60 percent NaH / 1.) THF, reflux, 15 min, 2.) THF, RT, overnight

With hydrogenchloride; n-butyllithium; TEA; sodium hydride; potassium carbonate; In diethyl ether; acetone;
DOI:10.1021/jm00150a025