Methiozolin

Base Information

• Chemical Name: Methiozolin
• CAS No.: 403640-27-7
• Molecular Formula: C₁₇H₁₇F₂NO₂S
• Molecular Weight: 337.39
• UNII: MK1KZ980DK
• ChEMBL ID: CHEMBL2269868
• DSSTox Substance ID: DTXSID30895800
• Nikkaji Number: J2.252.170E
• Mol file: 403640-27-7.mol

Synonyms:methiozolin

Chemical Property of Methiozolin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 337.09480628
• Heavy Atom Count: 23
• Complexity: 440

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(SC=C1)C2=NOC(C2)(C)COCC3=C(C=CC=C3F)F

Technology Process of Methiozolin

There total 13 articles about Methiozolin 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: 92.0%

4,5-dihydro-5-methyl-3-{(3-methylthiophene-2-yl)-isoxazole-5-yl}methanol (869638-43-7) + 2,6-difluorobenzyl chloride (697-73-4) → 5-{(2,6-difluorobenzyloxy)methyl}-4,5-dihydro-5-methyl-3-(3-methylthiophene-2-yl)-isoxazole (403640-27-7)

Guidance literature:

4,5-dihydro-5-methyl-3-{(3-methylthiophene-2-yl)-isoxazole-5-yl}methanol; With tetrabutyl phosphonium bromide; sodium hydroxide; In toluene; Large scale;

2,6-difluorobenzyl chloride; In toluene; at 60 - 65 ℃; for 20h; Reagent/catalyst; Temperature; Large scale;

Reference yield: 91.0%

4,5-dihydro-5-methyl-3-{(3-methylthiophene-2-yl)-isoxazole-5-yl}methanol (869638-43-7) + 2,6-Difluorobenzyl bromide (85118-00-9) → 5-{(2,6-difluorobenzyloxy)methyl}-4,5-dihydro-5-methyl-3-(3-methylthiophene-2-yl)-isoxazole (403640-27-7)

Guidance literature:

With tetra(n-butyl)ammonium hydroxide; sodium hydroxide; In water; toluene; at 55 - 60 ℃; for 6h; Reagent/catalyst;

Reference yield: 77.0%

(S)-(5-methyl-3-(3-methyl-thiophen-2-yl)-4,5-dihydroisoxazol-5-yl)methanol (1315306-08-1) + 2,6-difluorobenzyl chloride (697-73-4) → (S)-5-[(2,6-difluorobenzyloxy)methyl]-5-methyl-3-(3-methylthiophen-2-yl)-4,5-dihydroisoxazole (1370017-74-5,403640-27-7)

Guidance literature:

(S)-(5-methyl-3-(3-methyl-thiophen-2-yl)-4,5-dihydroisoxazol-5-yl)methanol; With sodium hydroxide; In tetrahydrofuran; at 40 ℃; for 0.25h;

2,6-difluorobenzyl chloride; In tetrahydrofuran; at 70 ℃; for 4h;

DOI:10.1039/c7ob02722b

upstream raw materials:

4,5-dihydro-5-methyl-3-{(3-methylthiophene-2-yl)-isoxazole-5-yl}methanol

2,6-Difluorobenzyl bromide

3-methyl-2-thiophenecarboxaldehdye

N-hydroxy(3-methylthiophen-2-yl)methanimine