2-(2-Methylpropanoyl)isoindole-1,3-dione

Base Information

• Chemical Name: 2-(2-Methylpropanoyl)isoindole-1,3-dione
• CAS No.: 6623-99-0
• Molecular Formula: C12H11 N O3
• Molecular Weight: 217.224
• European Community (EC) Number: 684-634-9
• NSC Number: 55210
• DSSTox Substance ID: DTXSID20288303
• Nikkaji Number: J1.633.881H
• Wikidata: Q82024649
• Mol file: 6623-99-0.mol

Synonyms:6623-99-0;2-(2-methylpropanoyl)isoindole-1,3-dione;NSC 55210;NSC55210;N-Isobutyrylphthalimide;SCHEMBL2702696;DTXSID20288303;2-Isobutyrylisoindoline-1,3-dione;NSC-55210;AKOS024331513;2-ISOBUTYRYL-ISOINDOLE-1,3-DIONE;2-(2-methyl-1-oxopropyl)isoindole-1,3-dione;A838034

Chemical Property of 2-(2-Methylpropanoyl)isoindole-1,3-dione

Chemical Property:

• Vapor Pressure: 2.57E-05mmHg at 25°C
• Boiling Point: 358.3°C at 760 mmHg
• Flash Point: 163.1°C
• Density: 1.298g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 217.07389321
• Heavy Atom Count: 16
• Complexity: 324

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)N1C(=O)C2=CC=CC=C2C1=O

Technology Process of 2-(2-Methylpropanoyl)isoindole-1,3-dione

There total 1 articles about 2-(2-Methylpropanoyl)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:

phthalic anhydride (85-44-9) + 2-Amino-2-methyl-1-propanol (124-68-5) → N-isobutyryl-phthalimide (6623-99-0)

Guidance literature:

phthalic anhydride; 2-Amino-2-methyl-1-propanol;

With oxalyl dichloride;

Reference yield:

N-isobutyryl-phthalimide (6623-99-0) → dimethylketene (598-26-5)

Guidance literature:

bei der thermischen Zersetzung;

DOI:10.1021/ja01345a035

Reference yield:

3-[2(R)-amino-2-phenylethyl]-5-(2-chlorophenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]pyrimidine-2,4-(1H,3H)-dione (830345-95-4) + N-isobutyryl-phthalimide (6623-99-0) → 3-[2(R)-{(2-phthalimide-2,2-dimethylethyl)amino}-2-phenylethyl]-5-(2-chlorophenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-pyrimidine-2,4(1H,3H)-dione

Guidance literature:

3-[2(R)-amino-2-phenylethyl]-5-(2-chlorophenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]pyrimidine-2,4-(1H,3H)-dione; N-isobutyryl-phthalimide; In 1,1-dichloroethane; at 20 ℃; for 0.0833333h;

With sodium tris(acetoxy)borohydride; In 1,1-dichloroethane; for 16h;

upstream raw materials:

phthalic anhydride

2-Amino-2-methyl-1-propanol

Downstream raw materials:

dimethylketene

Refernces