Balsoxine

Base Information

• Chemical Name: Balsoxine
• CAS No.: 70216-32-9
• Molecular Formula: C17H15 N O3
• Molecular Weight: 281.311
• DSSTox Substance ID: DTXSID10331973
• Nikkaji Number: J19.290B
• Wikidata: Q27105915
• Metabolomics Workbench ID: 69467
• Mol file: 70216-32-9.mol

Synonyms:Balsoxine;70216-32-9;5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole;Balsoxin;C10572;CHEBI:2989;DTXSID10331973;AG-G-74154;2-Phenyl-5-(3,4-dimethoxyphenyl)oxazole;5-(3,4-dimethoxyphenyl)-2-phenyl-oxazole;Q27105915

Chemical Property of Balsoxine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 432.468°C at 760 mmHg
• Flash Point: 215.349°C
• PSA: 44.49000
• Density: 1.153g/cm³
• LogP: 4.02580
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 281.10519334
• Heavy Atom Count: 21
• Complexity: 319

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C2=CN=C(O2)C3=CC=CC=C3)OC

Technology Process of Balsoxine

There total 17 articles about Balsoxine 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: 99.0%

phenylglycin (2835-06-5) + 1-(3,4-dimethoxyphenyl)ethanone (1131-62-0) → 5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole (70216-32-9)

Guidance literature:

With iodine; 4-aminobenzene sulfonic acid; In dimethyl sulfoxide; at 100 ℃; for 5h;

DOI:10.1055/s-0035-1560660

Reference yield: 94.0%

iodobenzene (591-50-4) + 5-(3,4-Dimethoxyphenyl)oxazole (73663-61-3) → 5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole (70216-32-9)

Guidance literature:

With copper(l) iodide; sodium carbonate; triphenylphosphine; In N,N-dimethyl-formamide; at 160 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.tetlet.2009.02.039

Reference yield: 85.0%

3,4-dimethoxyphenyl-1-(p-toluenesulfonyl)-1,2,3-triazole + benzaldehyde (100-52-7) → 5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole (70216-32-9)

Guidance literature:

With dirhodium tetraacetate; In chloroform; at 120 ℃;

DOI:10.1039/d0ra03966g

upstream raw materials:

N-(2-(3,4-dimethoxyphenyl)-2-oxoethyl)benzamide

sulfuric acid

5-(3,4-dimethoxy-phenyl)-2-phenyl-oxazole-4-carboxylic acid

2-phenyl-oxazole-4-carboxylic acid ethyl ester

Downstream raw materials:

7-(3,4-Dimethoxybenzoyl)-2,5-diphenyl-1H,7H-s-triazolo<1,2-a>-s-triazol-1,3(2H)-dion