3-Acetamidophthalimide

Base Information

• Chemical Name: 3-Acetamidophthalimide
• CAS No.: 6118-65-6
• Molecular Formula: C10H8 N2 O3
• Molecular Weight: 204.185
• DSSTox Substance ID: DTXSID90210070
• Wikidata: Q27193647
• ChEMBL ID: CHEMBL1563734
• Mol file: 6118-65-6.mol

Synonyms:3-Acetamidophthalimide;N-(1,3-dioxoisoindol-4-yl)acetamide;6118-65-6;MLS000096553;n-(1,3-Dioxoisoindolin-4-yl)acetamide;N-(1,3-dioxo-4-isoindolyl)acetamide;SMR000062417;3-acetylaminophthalimid;3-Acetamido-phthalimide;cid_138666;SCHEMBL7960619;CHEMBL1563734;BDBM68455;DTXSID90210070;CHEBI:113181;HMS1722H21;HMS2328N10;AKOS034463970;N-(1,3-diketoisoindolin-4-yl)acetamide;CS-0277300;SR-01000040223;N-[1,3-bis(oxidanylidene)isoindol-4-yl]ethanamide;SR-01000040223-1;Q27193647;Z56892416;ACETAMIDE,N-(2,3-DIHYDRO-1,3-DIOXO-1H-ISOINDOL-4-YL)-

Chemical Property of 3-Acetamidophthalimide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 82.25000
• Density: 1.451g/cm³
• LogP: 1.18850
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 204.05349212
• Heavy Atom Count: 15
• Complexity: 327

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC=CC2=C1C(=O)NC2=O

Technology Process of 3-Acetamidophthalimide

There total 6 articles about 3-Acetamidophthalimide 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: 85.0%

3-acetylaminophthalic anhydride (6296-53-3) → 3-acetamidophthalimide (6118-65-6)

Guidance literature:

With urea; In N,N-dimethyl-formamide; at 100 ℃; for 6h; Concentration; Temperature; Solvent;

Reference yield: 54.0%

3-aminophthalimide (2518-24-3) + acetic anhydride (108-24-7) → 3-acetamidophthalimide (6118-65-6)

Guidance literature:

at 80 ℃; for 1h;

DOI:10.21577/0103-5053.20210012

Reference yield:

3-nitrophthalic acid anhydride (641-70-3) → 3-acetamidophthalimide (6118-65-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 220 - 230 °C

2: SnCl₂; HCl; water

With hydrogenchloride; water; tin(ll) chloride;

DOI:10.1093/geronb/56.4.S206

upstream raw materials:

3-aminophthalimide

acetic anhydride

3-nitrophthalic acid anhydride

4-nitro-1H-isoindole-1,3(2H)-dione

Downstream raw materials:

6-acetylamino-anthranilic acid

3-acetylaminophthalic acid

Apremilast

R-Apremilast