2-[2-(1,3-benzoxazol-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione

Base Information

• Chemical Name: 2-[2-(1,3-benzoxazol-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione
• CAS No.: 623553-27-5
• Molecular Formula: C17H12N2O3
• Molecular Weight: 292.28900
• DSSTox Substance ID: DTXSID10469962
• Wikidata: Q82297905
• Mol file: 623553-27-5.mol

Synonyms:623553-27-5;2-[2-(1,3-benzoxazol-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione;2-[2-(1,3-benzoxazol-2-yl)ethyl]isoindole-1,3-dione;2-(2-(Benzo[d]oxazol-2-yl)ethyl)isoindoline-1,3-dione;2-[2-(1,3-benzoxazol-2-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione;STK832222;SCHEMBL4906117;DTXSID10469962;MFCD00523439;AKOS005174347;LS-04522;CS-0326842

Chemical Property of 2-[2-(1,3-benzoxazol-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione

Chemical Property:

• PSA: 63.41000
• LogP: 2.60440
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 292.08479225
• Heavy Atom Count: 22
• Complexity: 443

Purity/Quality:

98%min ^*data from raw suppliers

2-[2-(1,3-Benzoxazol-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=NC4=CC=CC=C4O3

Technology Process of 2-[2-(1,3-benzoxazol-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione

There total 4 articles about 2-[2-(1,3-benzoxazol-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione 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: 68.5%

3-phthalimidopropanoic acid (3339-73-9) + 2-amino-phenol (95-55-6) → 2-(2-benzoxazol-2-ylethyl)isoindole-1,3-dione (623553-27-5)

Guidance literature:

With PPA; at 180 ℃; for 2h;

DOI:10.1016/S0968-0896(03)00243-8

Reference yield: 62.0%

N-(2-bromo-phenyl)-3-(1,3-dioxo-1,3-dihydroisoindol-2-yl)propionamide → 2-(2-benzoxazol-2-ylethyl)isoindole-1,3-dione (623553-27-5)

Guidance literature:

With copper(l) iodide; 1,10-Phenanthroline; caesium carbonate; In 1,2-dimethoxyethane; for 24h; Heating;

DOI:10.1021/jo051927q

Reference yield:

3-phthalimidopropionyl chloride (17137-11-0) → 2-(2-benzoxazol-2-ylethyl)isoindole-1,3-dione (623553-27-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 99 percent / tetrahydrofuran / 24 h / 20 °C

2: 62 percent / CuI; Cs₂CO₃; 1,10-phenanthroline / 1,2-dimethoxy-ethane / 24 h / Heating

With copper(l) iodide; 1,10-Phenanthroline; caesium carbonate; In tetrahydrofuran; 1,2-dimethoxyethane;

DOI:10.1021/jo051927q

upstream raw materials:

3-phthalimidopropanoic acid

2-amino-phenol

3-phthalimidopropionyl chloride

2-bromoaniline

Downstream raw materials:

2-benzoxazol-2-yl-ethylamine

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