6-methyl-2-phenyl-4H-3,1-benzoxazin-4-one

Base Information

• Chemical Name: 6-methyl-2-phenyl-4H-3,1-benzoxazin-4-one
• CAS No.: 117039-85-7
• Molecular Formula: C15H11NO2
• Molecular Weight: 237.258
• European Community (EC) Number: 653-928-9
• DSSTox Substance ID: DTXSID90354842
• Nikkaji Number: J1.272.977D
• Wikidata: Q82133309
• ChEMBL ID: CHEMBL94085
• Mol file: 117039-85-7.mol

Synonyms:117039-85-7;6-methyl-2-phenyl-4H-3,1-benzoxazin-4-one;6-Methyl-2-phenyl-4H-benzo[d][1,3]oxazin-4-one;SR-01000441560;4H-3,1-Benzoxazin-4-one, 6-methyl-2-phenyl-;6-Methyl-2-phenyl-benzo[d][1,3]oxazin-4-one;Oprea1_075396;Oprea1_083437;MLS001211883;CHEMBL94085;SCHEMBL913895;DTXSID90354842;HMS2828B22;STK051368;AKOS000642616;CCG-107297;SMR000515149;SR-01000441560-1;SR-01000441560-3

Chemical Property of 6-methyl-2-phenyl-4H-3,1-benzoxazin-4-one

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 237.078978594
• Heavy Atom Count: 18
• Complexity: 358

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)N=C(OC2=O)C3=CC=CC=C3

Technology Process of 6-methyl-2-phenyl-4H-3,1-benzoxazin-4-one

There total 36 articles about 6-methyl-2-phenyl-4H-3,1-benzoxazin-4-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: 93.0%

2-Amino-5-methylbenzoic acid (2941-78-8) + benzoyl chloride (98-88-4) → 6-methyl-2-phenyl-4H-benzo[d][1,3]oxazin-4-one (117039-85-7)

Guidance literature:

With pyridine; for 0.5h;

DOI:10.1016/S1386-1425(99)00206-1

Reference yield: 93.0%

carbon monoxide (201230-82-2) + 2-iodo-4-methylaniline (29289-13-2) + benzoyl chloride (98-88-4) → 6-methyl-2-phenyl-4H-benzo[d][1,3]oxazin-4-one (117039-85-7)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In 2-methyltetrahydrofuran; at 100 ℃; for 24h; under 15001.5 Torr; Autoclave;

DOI:10.1021/acs.joc.0c00887

Reference yield: 90.0%

5-methyl-2-phenyl-1H-indole (13228-36-9) → 6-methyl-2-phenyl-4H-benzo[d][1,3]oxazin-4-one (117039-85-7)

Guidance literature:

With Oxone; In nitromethane; at 100 ℃;

DOI:10.1039/c3cc44215b

upstream raw materials:

methanol

2-phenyl-6-methyl-1,4-dihydro-4-oxoquinoline

2-benzamido-5-methylbenzoic acid

(5-methyl-2,1-benzisoxazol-3-yl)(phenyl)methanone

Downstream raw materials:

C₂₂H₁₈N₄O₂

C₂₂H₁₆N₄O

9-methyl-5-phenylindazolo[3,2-b]quinazolin-7(5H)-one

N-(2-benzoyl-4-methylphenyl)benzamide