4-Chloromethyl-3-(2,6-dichlorophenyl)-5-methylisoxazole

Base Information

• Chemical Name: 4-Chloromethyl-3-(2,6-dichlorophenyl)-5-methylisoxazole
• CAS No.: 303225-22-1
• Molecular Formula: C11H8Cl3NO
• Molecular Weight: 276.55
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30370925
• Wikidata: Q82158111
• Mol file: 303225-22-1.mol

Synonyms:303225-22-1;4-Chloromethyl-3-(2,6-dichlorophenyl)-5-methylisoxazole;4-(Chloromethyl)-3-(2,6-Dichlorophenyl)-5-Methylisoxazole;4-(chloromethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole;SCHEMBL2304253;DTXSID30370925;MFCD00833265;AKOS015911429;FT-0616728;H11091;A820322;4-(chloromethyl)-3-(2,6-dichlorophenyl)-5-methyl-isoxazole;Isoxazole, 4-(chloromethyl)-3-(2,6-dichlorophenyl)-5-methyl-;4-(Chloromethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole, AldrichCPR

Chemical Property of 4-Chloromethyl-3-(2,6-dichlorophenyl)-5-methylisoxazole

Chemical Property:

• Vapor Pressure: 1.26E-05mmHg at 25°C
• Melting Point: 61 °C
• Refractive Index: 1.574
• Boiling Point: 379.6 °C at 760 mmHg
• Flash Point: 183.4 °C
• PSA: 26.03000
• Density: 1.392 g/cm³
• LogP: 4.69560
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 274.967147
• Heavy Atom Count: 16
• Complexity: 231

Purity/Quality:

97% ^*data from raw suppliers

4-(Chloromethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: R34:Causes burns.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)CCl

Technology Process of 4-Chloromethyl-3-(2,6-dichlorophenyl)-5-methylisoxazole

There total 2 articles about 4-Chloromethyl-3-(2,6-dichlorophenyl)-5-methylisoxazole 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: 91.0%

[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]methanol (175204-38-3) → 4-(chloromethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole (303225-22-1)

Guidance literature:

With thionyl chloride; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1016/j.bmcl.2006.05.055

Reference yield:

3-(2,6-dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid (3919-76-4) → 4-(chloromethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole (303225-22-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / LAH / tetrahydrofuran / 12 h / 20 °C

2: 91 percent / SOCl₂ / CH₂Cl₂ / 1 h / 20 °C

With lithium aluminium tetrahydride; thionyl chloride; In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.bmcl.2006.05.055

Reference yield: 65.0%

4-(chloromethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole (303225-22-1) + ethylene glycol (107-21-1) → 2-[3-(2,6-dichloro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-ethanol (870194-46-0)

Guidance literature:

With sodium hydride; at 80 ℃; for 4h;

DOI:10.1016/j.bmcl.2006.05.055

upstream raw materials:

[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]methanol

3-(2,6-dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid

Downstream raw materials:

2-[3-(2,6-dichloro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-ethanol

(4-{2-[3-(2,6-dichloro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-ethoxy}-2-methyl-phenoxy)-acetic acid methyl ester