2-[2-(4,4-Dimethyl-5-oxo-1,3-oxazol-2-yl)propan-2-yl]isoindole-1,3-dione

Base Information

• Chemical Name: 2-[2-(4,4-Dimethyl-5-oxo-1,3-oxazol-2-yl)propan-2-yl]isoindole-1,3-dione
• CAS No.: 7226-43-9
• Molecular Formula: C16H16N2O4
• Molecular Weight: 300.3092
• DSSTox Substance ID: DTXSID90412173
• Wikidata: Q82219410
• Mol file: 7226-43-9.mol

Synonyms:7226-43-9;2-[2-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)propan-2-yl]isoindole-1,3-dione;DTXSID90412173

Chemical Property of 2-[2-(4,4-Dimethyl-5-oxo-1,3-oxazol-2-yl)propan-2-yl]isoindole-1,3-dione

Chemical Property:

• Vapor Pressure: 1.15E-06mmHg at 25°C
• Boiling Point: 401.8°Cat760mmHg
• Flash Point: 196.8°C
• PSA: 76.04000
• Density: 1.33g/cm³
• LogP: 1.16860
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 300.11100700
• Heavy Atom Count: 22
• Complexity: 567

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(=O)OC(=N1)C(C)(C)N2C(=O)C3=CC=CC=C3C2=O)C

Technology Process of 2-[2-(4,4-Dimethyl-5-oxo-1,3-oxazol-2-yl)propan-2-yl]isoindole-1,3-dione

There total 11 articles about 2-[2-(4,4-Dimethyl-5-oxo-1,3-oxazol-2-yl)propan-2-yl]isoindole-1,3-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: 100.0%

(3S,4S,5R,6R)-4-fluoro-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,5-triol (7226-70-2) + acetic anhydride (108-24-7) → [(2R,3R,4S,5S)-3,5,6-triacetoxy-4-fluoro-tetrahydropyran-2-yl]methyl acetate (7226-43-9,20409-32-9,22434-91-9,22434-92-0,88198-26-9,83602-93-1)

Guidance literature:

With pyridine; at 20 ℃;

Reference yield: 61.0%

3-deoxy-1,2;5,6-di-O-isopropylidene-3-fluoro-α-D-glucofuranose (14049-05-9) + acetic anhydride (108-24-7) → [(2R,3R,4S,5S)-3,5,6-triacetoxy-4-fluoro-tetrahydropyran-2-yl]methyl acetate (7226-43-9,20409-32-9,22434-91-9,22434-92-0,88198-26-9,83602-93-1)

Guidance literature:

3-deoxy-1,2;5,6-di-O-isopropylidene-3-fluoro-α-D-glucofuranose; With trifluoroacetic acid; In water; acetic acid; at 20 ℃;

acetic anhydride; With pyridine; Further stages.;

DOI:10.1016/j.carres.2008.01.031

Reference yield: 60.0%

3-deoxy-1,2;5,6-di-O-isopropylidene-3-fluoro-α-D-glucofuranose (14049-05-9) + sodium acetate (127-09-3) + acetic anhydride (108-24-7) → [(2R,3R,4S,5S)-3,5,6-triacetoxy-4-fluoro-tetrahydropyran-2-yl]methyl acetate (7226-43-9,20409-32-9,22434-91-9,22434-92-0,88198-26-9,83602-93-1)

Guidance literature:

3-deoxy-1,2;5,6-di-O-isopropylidene-3-fluoro-α-D-glucofuranose; With trifluoroacetic acid; In tetrahydrofuran; water; at 20 ℃; for 14h;

sodium acetate; acetic anhydride; for 0.5h; Reflux;

upstream raw materials:

(3S,4S,5R,6R)-4-fluoro-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,5-triol

acetic anhydride

3-deoxy-3-fluoro-D-glucose

3-deoxy-1,2;5,6-di-O-isopropylidene-3-fluoro-α-D-glucofuranose

Downstream raw materials:

3-deoxy-3-fluoro-α-D-glucopyranosyl

2,4-dinitrophenyl-2,4,6-tri-O-acetyl-3-fluoro-3-deoxy-β-D-glucopyranoside

2,4-dinitrophenyl-3-fluoro-3-deoxy-β-D-glucopyranoside

1-(2,4,6-tri-O-acetyl-3-deoxy-3-fluoro-β-D-glucopyranosyl)-N⁴-benzoyl cytosine