Isoxazole, 3-chloro-4,5-dihydro-5,5-dimethyl-

Base Information

• Chemical Name: Isoxazole, 3-chloro-4,5-dihydro-5,5-dimethyl-
• CAS No.: 326829-08-7
• Molecular Formula: C5H8ClNO
• Molecular Weight: 133.578
• European Community (EC) Number: 893-707-6
• DSSTox Substance ID: DTXSID40470228
• Wikidata: Q82298237
• Mol file: 326829-08-7.mol

Synonyms:326829-08-7;3-chloro-5,5-dimethyl-4,5-dihydroisoxazole;Isoxazole, 3-chloro-4,5-dihydro-5,5-dimethyl-;3-chloro-5,5-dimethyl-4H-1,2-oxazole;3-chloro-5,5-dimethyl-4,5-dihydro-1,2-oxazole;3-Chloro-4,5-dihydro-5,5-dimethylisoxazole;3-chloro-5,5-dimethyl-2-isoxazoline;SCHEMBL1412392;DTXSID40470228;YMCWJQIZJIKFHO-UHFFFAOYSA-N;BNA82908;AC8145;MFCD27997642;AKOS028113715;AS-65294;SY251058;CS-0161100;EN300-367785

Chemical Property of Isoxazole, 3-chloro-4,5-dihydro-5,5-dimethyl-

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 133.0294416
• Heavy Atom Count: 8
• Complexity: 130

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(CC(=NO1)Cl)C

Technology Process of Isoxazole, 3-chloro-4,5-dihydro-5,5-dimethyl-

There total 11 articles about Isoxazole, 3-chloro-4,5-dihydro-5,5-dimethyl- 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: 99.4%

5,5-dimethyl-4,5-dihydroisoxazole (72900-32-4) → 3-chloro-5,5-dimethyl-4,5-dihydroxyisoxazole (326829-08-7)

Guidance literature:

With chlorine; In tetrachloromethane; Cooling with ice;

Reference yield: 95.5%

5,5-dimethyl-3-isoxazolidinone (62243-00-9) → 3-chloro-5,5-dimethyl-4,5-dihydroxyisoxazole (326829-08-7)

Guidance literature:

With N,N-dimethyl-formamide; trichlorophosphate; In dichloromethane; at 20 ℃; for 2h; Inert atmosphere;

Reference yield: 51.0%

dichloroformoxime (1794-86-1) → 3-chloro-5,5-dimethyl-4,5-dihydroxyisoxazole (326829-08-7)

Guidance literature:

isobutene; With sodium hydrogencarbonate; In ethanol; at 20 - 70 ℃; for 0.5h;

dichloroformoxime; In ethanol; at 70 ℃; for 8h;

upstream raw materials:

dichloroformoxime

isobutene

di-isopropyl ether

5,5-dimethyl-3-isoxazolidinone

Downstream raw materials:

pyroxasulfone

3-(2,6-difluoro-phenylmethanesulfanyl)-5,5-dimethyl-4,5-dihydroisoxazole

Refernces

• 1、 -. "ISOXAZOLINE DERIVATIVES AND THEIR USES IN AGRICULTURE". Paragraph 00158. . Retrieved 2021/02/12.
• 2、 -. "PROCESS FOR PREPARATION OF PYROXASULFONE". Page/Page column 21-22. . Retrieved 2020/12/11.