2-cyclohexyl-4H-3,1-benzoxazin-4-one

Base Information

• Chemical Name: 2-cyclohexyl-4H-3,1-benzoxazin-4-one
• CAS No.: 25437-74-5
• Molecular Formula: C₁₄H₁₅NO₂
• Molecular Weight: 229.279
• DSSTox Substance ID: DTXSID801291694
• Mol file: 25437-74-5.mol

Synonyms:Oprea1_372764;SCHEMBL692785;DTXSID801291694;AKOS002789367;2-cyclohexyl-4H-3,1-benzoxazin-4-one;25437-74-5

Chemical Property of 2-cyclohexyl-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: 229.110278721
• Heavy Atom Count: 17
• Complexity: 331

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(CC1)C2=NC3=CC=CC=C3C(=O)O2

Technology Process of 2-cyclohexyl-4H-3,1-benzoxazin-4-one

There total 6 articles about 2-cyclohexyl-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: 81.0%

N-(2-acetylphenyl)cyclohexanecarboxamide (433214-46-1) → 2-cyclohexyl-4H-benzo[d][1,3]oxazin-4-one (25437-74-5)

Guidance literature:

N-(2-acetylphenyl)cyclohexanecarboxamide; With iodine; sodium hydrogencarbonate; In dimethyl sulfoxide; at 20 ℃; for 0.0333333h;

With tert.-butylhydroperoxide; In nonane; dimethyl sulfoxide; at 95 ℃; for 3h;

DOI:10.1021/acs.orglett.6b02142

Reference yield: 78.0%

2-(cyclohexanecarboxamido)benzoic acid (25437-73-4) → 2-cyclohexyl-4H-benzo[d][1,3]oxazin-4-one (25437-74-5)

Guidance literature:

With acetic anhydride; for 3h; Heating;

DOI:10.1016/S0014-827X(99)00102-0

Reference yield: 57.0%

C13H16BrNO (378786-43-7) + benzene-1,3,5-triyl triformate → 2-cyclohexyl-4H-benzo[d][1,3]oxazin-4-one (25437-74-5)

Guidance literature:

With palladium diacetate; triethylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 100 ℃; for 16h; Schlenk technique; Inert atmosphere;

DOI:10.1002/chem.202103137

upstream raw materials:

2-(cyclohexanecarboxamido)benzoic acid

2-aminoacetophenone

cyclohexanylcarbonyl chloride

N-(2-acetylphenyl)cyclohexanecarboxamide

Downstream raw materials:

2-cyclohexylquinazolin-4(3Η)-one