2-(4-Methoxyphenyl)-4-phenyl-4H-3,1-benzoxazine

Base Information

• Chemical Name: 2-(4-Methoxyphenyl)-4-phenyl-4H-3,1-benzoxazine
• CAS No.: 28586-60-9
• Molecular Formula: C21H17NO2
• Molecular Weight: 315.371
• DSSTox Substance ID: DTXSID90514020
• Mol file: 28586-60-9.mol

Synonyms:28586-60-9;2-(4-Methoxyphenyl)-4-phenyl-4H-3,1-benzoxazine;DTXSID90514020

Chemical Property of 2-(4-Methoxyphenyl)-4-phenyl-4H-3,1-benzoxazine

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 315.125928785
• Heavy Atom Count: 24
• Complexity: 435

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(O2)C4=CC=CC=C4

Technology Process of 2-(4-Methoxyphenyl)-4-phenyl-4H-3,1-benzoxazine

There total 4 articles about 2-(4-Methoxyphenyl)-4-phenyl-4H-3,1-benzoxazine 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: 96.0%

p-Methoxybenzoesaeure-(α-hydroxy-α-phenyl-o-toluidid) (86839-15-8) → 2-(p-Methoxyphenyl)-4-phenyl-4H-3,1-benzoxazin (28586-60-9)

Guidance literature:

With phosphorus tribromide; In dichloromethane;

Reference yield: 76.0%

p-Methoxybenzoesaeure-(α-hydroxy-α-phenyl-o-toluidid) (86839-15-8) → N-p-methoxybenzoyl-2-(α-fluorobenzyl)aniline + 2-(p-Methoxyphenyl)-4-phenyl-4H-3,1-benzoxazin (28586-60-9)

Guidance literature:

With 4,4'-diaminostilbene-2,2'-disulfonic acid; In dichloromethane; at -78 ℃; for 1h;

DOI:10.3987/COM-05-S(T)22

Reference yield:

2-(p-Methoxybenzoylamino)benzophenon (36192-65-1) → 2-(p-Methoxyphenyl)-4-phenyl-4H-3,1-benzoxazin (28586-60-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / NaBH₄

2: 96 percent / PBr₃ / CH₂Cl₂

With sodium tetrahydroborate; phosphorus tribromide; In dichloromethane;

upstream raw materials:

p-Methoxybenzoesaeure-(α-hydroxy-α-phenyl-o-toluidid)

2-(p-Methoxybenzoylamino)benzophenon

Downstream raw materials:

2-Ethoxy-2-(p-methoxyphenyl)-1-methyl-4-phenyl-1,2-dihydro-4H-3,1-benzoxazin

2-(p-Methoxyphenyl)-1-methyl-4-phenyl-1,2-dihydro-4H-3,1-benzoxazin-2-carbonitril

r-2-Ethoxy-t-3-hydroxy-2-(p-methoxyphenyl)-1-methyl-3-phenylindolin

3-Hydroxy-2-(p-methoxyphenyl)-3-phenyl-3H-indol