3,4,5,6-Tetrahydrophthalimide

Base Information

• Chemical Name: 3,4,5,6-Tetrahydrophthalimide
• CAS No.: 4720-86-9
• Molecular Formula: C8H9 N O2
• Molecular Weight: 151.165
• Hs Code.: 2925190090
• European Community (EC) Number: 225-211-7
• NSC Number: 293561
• UNII: 4R239Q5JK7
• DSSTox Substance ID: DTXSID90963771
• Nikkaji Number: J48.235H
• Wikidata: Q27260384
• Mol file: 4720-86-9.mol

Synonyms:cis-4-cycloxexene-1,2-dicarboximide;tetrahydrophthalimide

Chemical Property of 3,4,5,6-Tetrahydrophthalimide

Chemical Property:

• Appearance/Colour: slight yellow to white crystalline powder
• Melting Point: 168℃-172℃
• Boiling Point: 324.3 °C at 760 mmHg
• PKA: 9.49±0.20(Predicted)
• Flash Point: 158.1 °C
• PSA: 46.17000
• Density: 1.27 g/cm³
• LogP: 0.84220
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 151.063328530
• Heavy Atom Count: 11
• Complexity: 239

Purity/Quality:

99.9% ^*data from raw suppliers

3,4,5,6-Tetrahydrophthalimide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(C1)C(=O)NC2=O

Technology Process of 3,4,5,6-Tetrahydrophthalimide

There total 5 articles about 3,4,5,6-Tetrahydrophthalimide 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: 95.04%

phthalimide (136918-14-4,85-41-6) → 3,4,5,6-tetrahydrophthalimide (4720-86-9)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In N,N-dimethyl-formamide; at 75 - 90 ℃; for 80h; Temperature; Catalytic behavior; Autoclave;

Reference yield:

3,4,5,6-Tetrahydrophthalic anhydride (2426-02-0) → 3,4,5,6-tetrahydrophthalimide (4720-86-9)

Guidance literature:

With ethanol; ammonia; at 160 ℃;

Reference yield:

3,4,5,6-Tetrahydrophthalic anhydride (2426-02-0) + urea (57-13-6) → 3,4,5,6-tetrahydrophthalimide (4720-86-9)

Guidance literature:

at 160 ℃;

DOI:10.1039/jr9520004846

upstream raw materials:

3,4,5,6-Tetrahydrophthalic anhydride

urea

phthalimide

Downstream raw materials:

cis-hexahydrophthalimide

N-hydroxymethyl-3,4,5,6-tetrahydrophthalimide