3-Indol-3-yl-2H-1,4-benzoxazin-2-one

Base Information

• Chemical Name: 3-Indol-3-yl-2H-1,4-benzoxazin-2-one
• CAS No.: 5543-37-3
• Molecular Formula: C29H30FN3O5S
• Molecular Weight: 551.629
• NSC Number: 711808
• Nikkaji Number: J67.850C

Synonyms:BRN 0539517;3-Indol-3-yl-2H-1,4-benzoxazin-2-one;2H-1,4-BENZOXAZIN-2-ONE, 3-INDOL-3-YL-;3-(1H-Indol-3-yl)-2H-benzo[b][1,4]oxazin-2-one;5543-37-3;NSC711808;SCHEMBL18593298;NSC-711808;LS-42016;3-(1H-Indol-3-yl)-2H-1,4-benzoxazin-2-one

Chemical Property of 3-Indol-3-yl-2H-1,4-benzoxazin-2-one

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.27g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 262.074227566
• Heavy Atom Count: 20
• Complexity: 434

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)C3=NC4=CC=CC=C4OC3=O

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

There total 13 articles about 3-Indol-3-yl-2H-1,4-benzoxazin-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: 89.5%

benzoxazole (273-53-0,29791-96-6) + 3-indolylglyoxylic acid (1477-49-2) → cephalandole A (5543-37-3)

Guidance literature:

With trifluoroacetic acid; In ethanol; at 80 ℃; for 20h; Reagent/catalyst; Solvent; Temperature;

Reference yield: 89.0%

3-indolylglyoxylic acid (1477-49-2) + 2-amino-phenol (95-55-6) → cephalandole A (5543-37-3)

Guidance literature:

In diethylene glycol; at 150 ℃; for 0.166667h; Microwave irradiation;

DOI:10.17344/acsi.2017.3709

Reference yield: 80.0%

3-indolylglyoxylic acid (1477-49-2) + aniline (62-53-3) → cephalandole A (5543-37-3)

Guidance literature:

With 1-acetoxy-1,2-benziodoxol-3-one; In dichloromethane; at 20 ℃; for 8h;

DOI:10.1021/acs.joc.1c01424

upstream raw materials:

ethyl 2-(1H-indol-3-yl)-2-oxoacetate

2-amino-phenol

benzoxazole

3-indolylglyoxylic acid

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