2-(3-Oxobutan-2-yl)isoindole-1,3-dione

Base Information

• Chemical Name: 2-(3-Oxobutan-2-yl)isoindole-1,3-dione
• CAS No.: 2028-33-3
• Molecular Formula: C12H11NO3
• Molecular Weight: 217.224
• Hs Code.: 2925190090
• DSSTox Substance ID: DTXSID20512751
• Mol file: 2028-33-3.mol

Synonyms:2028-33-3;2-(1-Methyl-2-oxopropyl)-1H-isoindole-1,3-(2H)-dione;2-(3-oxobutan-2-yl)isoindole-1,3-dione;1H-Isoindole-1,3(2H)-dione, 2-(1-methyl-2-oxopropyl)-;N-[3-BUTANONE(2)]-PHTHALIMIDE;3-phthalimido-2-butanone;2-(1-methyl-2-oxo-propyl)isoindoline-1,3-dione;SCHEMBL8977751;DTXSID20512751;MFCD08704358;AKOS016374405;2-(3-oxobutan-2-yl)isoindole-1, 3-dione;A814377;2-(3-Oxobutan-2-yl)-1H-isoindole-1,3(2H)-dione

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

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 6.21E-05mmHg at 25°C
• Melting Point: 85-86 °C
• Refractive Index: 1.581
• Boiling Point: 345.3 °C at 760 mmHg
• PKA: -2.45±0.20(Predicted)
• Flash Point: 154.2 °C
• PSA: 54.45000
• Density: 1.29 g/cm³
• LogP: 1.19800
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 217.07389321
• Heavy Atom Count: 16
• Complexity: 326

Purity/Quality:

97% ^*data from raw suppliers

2-(1-METHYL-2-OXOPROPYL)-1H-ISOINDOLE-1,3-(2H)-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 12 articles about 2-(3-Oxobutan-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: 96.0%

potassium phtalimide (1074-82-4) + 3-bromo-butanone (814-75-5) → 2-(1-methyl-2-oxo-propyl)-isoindole-1,3-dione (2028-33-3)

Guidance literature:

at 20 ℃; for 0.233333h; Ionic liquid;

DOI:10.1080/00397911.2011.603876

Reference yield: 95.0%

3-chloro-2-butanone (4091-39-8) + potassium phtalimide (1074-82-4) → 2-(1-methyl-2-oxo-propyl)-isoindole-1,3-dione (2028-33-3)

Guidance literature:

In N,N-dimethyl-formamide; at 20 - 25 ℃; for 8h; Temperature;

Reference yield: 80.0%

2-(2-hydroxy-1-methyl-propyl)-isoindole-1,3-dione → 2-(1-methyl-2-oxo-propyl)-isoindole-1,3-dione (2028-33-3)

Guidance literature:

With manganese(IV) oxide; [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; 2,6-Di-tert-butyl-1,4-benzoquinone; In acetone; at 65 ℃; for 17h; Temperature; Inert atmosphere;

upstream raw materials:

N-acetonylphthalimide

methyl iodide

3-chloro-2-butanone

potassium phtalimide

Downstream raw materials:

3-Amino-2-butanone hydrochloride

D,L-1-bromo-3-phthalimido-2-butanone

C₂₁H₁₆N₄O₂S

C₂₀H₁₅N₅O₂S