3-Benzyl-5-methyl-3H-benzooxazol-2-one

Base Information

Chemical Name:3-Benzyl-5-methyl-3H-benzooxazol-2-one
CAS No.:107235-17-6
Molecular Formula:C₁₅H₁₃NO₂
Molecular Weight:239.274
Hs Code.:
UNII:WUT8D5MHW8
DSSTox Substance ID:DTXSID501322064
Pharos Ligand ID:FB3VCS6UH7RP
ChEMBL ID:CHEMBL523238

Synonyms:3-Benzyl-5-methyl-3H-benzooxazol-2-one;107235-17-6;3-benzyl-5-methylbenzo[d]oxazol-2(3H)-one;3-benzyl-5-methyl-1,3-benzoxazol-2-one;CHEMBL523238;WUT8D5MHW8;MLS001205717;F1633-0044;SCHEMBL10874258;DTXSID501322064;HMS2816L07;BDBM50265523;AKOS000649124;ZINC 00806272;CCG-142613;PD181272;SMR000523953;5-Methyl-3-(phenylmethyl)-2(3H)-benzoxazolone;5-Methyl-3-(phenylmethyl)-1,3-benzoxazol-2-one;2(3H)-Benzoxazolone, 5-methyl-3-(phenylmethyl)-;3-BENZYL-5-METHYL-2,3-DIHYDRO-1,3-BENZOXAZOL-2-ONE

Suppliers and Price of 3-Benzyl-5-methyl-3H-benzooxazol-2-one

Supply Marketing:

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

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Chemical Property of 3-Benzyl-5-methyl-3H-benzooxazol-2-one

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:239.094628657
Heavy Atom Count:18
Complexity:312

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC2=C(C=C1)OC(=O)N2CC3=CC=CC=C3

Technology Process of 3-Benzyl-5-methyl-3H-benzooxazol-2-one

There total 7 articles about 3-Benzyl-5-methyl-3H-benzooxazol-2-one 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: 89.0%

: 22876-15-9
5-methylbenzo[d]oxazol-2(3H)-one

: 100-39-0
benzyl bromide

: 107235-17-6
3-benzyl-5-methylbenzoxazol-2(3H)-one

Guidance literature:: potassium hydroxide; In ethanol; water;

Reference yield: 79.0%

: 10531-78-9
5-methyl-1,3-benzoxazole

: 108-88-3,15644-74-3,16713-13-6
toluene

: 107235-17-6
3-benzyl-5-methylbenzoxazol-2(3H)-one

Guidance literature:: With tert.-butylhydroperoxide; iodine; In chlorobenzene; at 110 ℃; for 30h; Sealed tube;

Reference yield:

: 100-52-7
benzaldehyde

: 107235-17-6
3-benzyl-5-methylbenzoxazol-2(3H)-one

Guidance literature:: Multi-step reaction with 3 steps

1: magnesium sulfate / tetrahydrofuran / 12 h / 20 °C

2: sodium tetrahydroborate / methanol / 1 h / 0 °C

3: triethylamine / tetrahydrofuran / 12 h / Reflux

With sodium tetrahydroborate; magnesium sulfate; triethylamine; In tetrahydrofuran; methanol;
DOI:10.1021/acs.jmedchem.7b01312