6-Methylbenzo[d]isoxazole

Base Information

• Chemical Name: 6-Methylbenzo[d]isoxazole
• CAS No.: 10531-79-0
• Molecular Formula: C8H7 N O
• Molecular Weight: 133.15
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50597319
• Wikidata: Q82492843
• Mol file: 10531-79-0.mol

Synonyms:6-Methylbenzo[d]isoxazole;10531-79-0;6-methyl-1,2-benzoxazole;6-METHYL-1,2-BENZISOXAZOLE;SCHEMBL12186;DTXSID50597319;AKOS006292082;DS-5650;DB-059328;G73393;A906082

Chemical Property of 6-Methylbenzo[d]isoxazole

Chemical Property:

• PSA: 26.03000
• LogP: 2.13620
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 133.052763847
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

97% ^*data from raw suppliers

6-Methylbenzo[d]isoxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)C=NO2

Technology Process of 6-Methylbenzo[d]isoxazole

There total 1 articles about 6-Methylbenzo[d]isoxazole 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:

2-hydroxy-4-methylbenzaldehyde oxime (84159-60-4) → 6-methylbenzo[d]isoxazole (10531-79-0)

Guidance literature:

With triphenylphosphine; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In dichloromethane; at 20 ℃; for 0.0166667h;

DOI:10.1039/c9ob01366k

Reference yield: 88.0%

6-methylbenzo[d]isoxazole (10531-79-0) + 3-phenylpropionic acid tert-butyl ester (93139-50-5) → 2-(2-hydroxy-4-methylphenyl)-4-phenyl-6H-1,3-oxazin-6-one

Guidance literature:

With chloro(1,3-bis(2,6-di-i-propylphenyl)imidazol-2-ylidene)gold(I); silver(I) triflimide; In 1,2-dichloro-ethane; at 80 ℃; for 36h; Inert atmosphere;

DOI:10.1021/acs.orglett.8b02663

Reference yield: 84.0%

6-methylbenzo[d]isoxazole (10531-79-0) + N-benzyloxy-α-methyl-α-bromopropionamide (1303507-75-6) → (Z)-2-(2-hydroxy-4-methylphenyl)-4,4-dimethyloxazol-5(4H)-one O-benzyl oxime

Guidance literature:

With sodium carbonate; at 20 ℃; for 0.5h; regioselective reaction;

DOI:10.1016/j.cclet.2019.09.025

upstream raw materials:

2-hydroxy-4-methylbenzaldehyde oxime

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