4-Oxazolemethanol, 4,5-dihydro-2-(4-((7-(3-methyl-5-isoxazolyl)heptyl)oxy)phenyl)-

Base Information

Chemical Name:4-Oxazolemethanol, 4,5-dihydro-2-(4-((7-(3-methyl-5-isoxazolyl)heptyl)oxy)phenyl)-
CAS No.:98033-99-9
Molecular Formula:C21H28N2O4
Molecular Weight:372.458
Hs Code.:
ChEMBL ID:CHEMBL28442
DSSTox Substance ID:DTXSID30913497
Nikkaji Number:J294.091D

Synonyms:98033-99-9;4-Oxazolemethanol, 4,5-dihydro-2-(4-((7-(3-methyl-5-isoxazolyl)heptyl)oxy)phenyl)-;4-Oxazolemethanol, 4,5-dihydro-2-[4-[[7-(3-methyl-5-isoxazolyl)heptyl]oxy]phenyl]-;CHEMBL28442;SCHEMBL9667996;DTXSID30913497;[2-[4-[7-(3-methylisoxazol-5-yl)heptoxy]phenyl]-4,5-dihydrooxazol-4-yl]methanol;[2-(4-{[7-(3-Methyl-1,2-oxazol-5-yl)heptyl]oxy}phenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanol

Suppliers and Price of 4-Oxazolemethanol, 4,5-dihydro-2-(4-((7-(3-methyl-5-isoxazolyl)heptyl)oxy)phenyl)-

Supply Marketing:

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

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Chemical Property of 4-Oxazolemethanol, 4,5-dihydro-2-(4-((7-(3-methyl-5-isoxazolyl)heptyl)oxy)phenyl)-

Chemical Property:

Vapor Pressure:6.35E-14mmHg at 25°C
Boiling Point:572°Cat760mmHg
Flash Point:299.7°C
PSA：77.08000
Density:1.2g/cm³
LogP:3.12830
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:11
Exact Mass:372.20490738
Heavy Atom Count:27
Complexity:452

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=NC(CO3)CO

Technology Process of 4-Oxazolemethanol, 4,5-dihydro-2-(4-((7-(3-methyl-5-isoxazolyl)heptyl)oxy)phenyl)-

There total 6 articles about 4-Oxazolemethanol, 4,5-dihydro-2-(4-((7-(3-methyl-5-isoxazolyl)heptyl)oxy)phenyl)- 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%

: 98360-44-2
ethyl 4-<<7-(3-methyl-5-isoxazolyl)heptyl>oxy>benzenecarboximidate hydrochloride

: 534-03-2
serinol

: 98033-99-9
(2-{4-[7-(3-Methyl-isoxazol-5-yl)-heptyloxy]-phenyl}-4,5-dihydro-oxazol-4-yl)-methanol

Guidance literature:: at 100 ℃; for 2.5h;
DOI:10.1021/jm00167a006

Reference yield:

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

: 98033-99-9
(2-{4-[7-(3-Methyl-isoxazol-5-yl)-heptyloxy]-phenyl}-4,5-dihydro-oxazol-4-yl)-methanol

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

: 98033-99-9
(2-{4-[7-(3-Methyl-isoxazol-5-yl)-heptyloxy]-phenyl}-4,5-dihydro-oxazol-4-yl)-methanol

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