Win I(S)

Base Information

Chemical Name:Win I(S)
CAS No.:98034-32-3
Molecular Formula:C₂₁H₂₈N₂O₃
Molecular Weight:356.465
Hs Code.:
Nikkaji Number:J294.086H
Wikidata:Q27108558
Metabolomics Workbench ID:67420
ChEMBL ID:CHEMBL6641

Synonyms:5-(7-(4-(4,5-dihydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;Win 52084;Win 52084, (R)-isomer;Win 52084, (S)-isomer;Win-52084

Suppliers and Price of Win I(S)

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of Win I(S)

Chemical Property:

Vapor Pressure:1.3E-10mmHg at 25°C
Boiling Point:525.5°Cat760mmHg
Flash Point:271.6°C
Density:1.14g/cm³
XLogP3:4.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:356.20999276
Heavy Atom Count:26
Complexity:435

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1COC(=N1)C2=CC=C(C=C2)OCCCCCCCC3=CC(=NO3)C

Technology Process of Win I(S)

There total 6 articles about Win I(S) 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:

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

: 98034-32-3,98102-61-5,98524-87-9,120666-36-6
3-Methyl-5-{7-[4-(4-methyl-4,5-dihydro-oxazol-2-yl)-phenoxy]-heptyl}-isoxazole

Guidance literature:: Multi-step reaction with 3 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

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

Reference yield:

: 629-03-8
1 ,6-dibromohexane

: 98034-32-3,98102-61-5,98524-87-9,120666-36-6
3-Methyl-5-{7-[4-(4-methyl-4,5-dihydro-oxazol-2-yl)-phenoxy]-heptyl}-isoxazole

Guidance literature:: Multi-step reaction with 4 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

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

Reference yield:

: 91944-99-9
4-<(6-bromohexyl)-oxy>benzonitrile

: 98034-32-3,98102-61-5,98524-87-9,120666-36-6
3-Methyl-5-{7-[4-(4-methyl-4,5-dihydro-oxazol-2-yl)-phenoxy]-heptyl}-isoxazole

Guidance literature:: Multi-step reaction with 3 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

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