2-Benzyltetrahydropyrrolo[3,4-c]pyrrole-1,3-dione

Base Information

• Chemical Name: 2-Benzyltetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
• CAS No.: 86732-32-3
• Molecular Formula: C13H14N2O2
• Molecular Weight: 230.266
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00514016
• Mol file: 86732-32-3.mol

Synonyms:86732-32-3;2-Benzyltetrahydropyrrolo[3,4-c]pyrrole-1,3-dione;2-Benzyl-tetrahydro-pyrrolo[3,4-c]pyrrole-1,3-dione;2-Benzyl-tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione;MFCD09037855;5-benzyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione;2-Benzyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione;Pyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione, tetrahydro-2-(phenylmethyl)-;SCHEMBL584720;DTXSID00514016;LASIKWRVUBLQPO-UHFFFAOYSA-N;2-BENZYL-TETRAHYDROPYRROLO[3,4-C] PYRROLE-1,3(2H,3AH)-DIONE;AB2678;AKOS015902882;CS-11226;SY010991;CS-0269957;FT-0749326;EN300-136695;A863053;2-benzyl-octahydropyrrolo[3,4-c]pyrrole-1,3-dione;2-Benzyltetrahydropyrrolo[3 pound not4-c]pyrrole-1 pound not3-dione

Chemical Property of 2-Benzyltetrahydropyrrolo[3,4-c]pyrrole-1,3-dione

Chemical Property:

• Boiling Point: 459.941 °C at 760 mmHg
• Flash Point: 231.965 °C
• PSA: 49.41000
• Density: 1.27 g/cm³
• LogP: 0.65770
• Storage Temp.: 2-8°C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 230.105527694
• Heavy Atom Count: 17
• Complexity: 314

Purity/Quality:

97% ^*data from raw suppliers

2-Benzyltetrahydropyrrolo[3,4-c]pyrrole-1,3-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2C(CN1)C(=O)N(C2=O)CC3=CC=CC=C3

Technology Process of 2-Benzyltetrahydropyrrolo[3,4-c]pyrrole-1,3-dione

There total 5 articles about 2-Benzyltetrahydropyrrolo[3,4-c]pyrrole-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: 90.0%

2,5-dibenzyltetrahydropyrrolo[3,4-c]pyrrole-1,3-dione (165893-99-2) → N-benzyltetrahydro-1H-pyrrole-3,4-dicarboximide (86732-32-3)

Guidance literature:

2,5-dibenzyltetrahydropyrrolo[3,4-c]pyrrole-1,3-dione; With carbonochloridic acid 1-chloro-ethyl ester; In dichloromethane; at 0 ℃; for 3h; Heating / reflux;

With methanol; for 3h; Heating / reflux;

Reference yield:

1,N-dibenzyl-1H-pyrrole-3,4-dicarboximide (86732-04-9) → N-benzyltetrahydro-1H-pyrrole-3,4-dicarboximide (86732-32-3)

Guidance literature:

With hydrogen; palladium on activated charcoal; In acetic acid; at 55 ℃; for 18h; under 2585.7 Torr; Yield given;

Reference yield:

1-benzyl-pyrrole-3,4-dicarboxylic acid (86731-90-0) → N-benzyltetrahydro-1H-pyrrole-3,4-dicarboximide (86732-32-3)

Guidance literature:

Multi-step reaction with 4 steps

1: 88 percent / dicyclohexylcarbodiimide / tetrahydrofuran / Heating; overnight

2: 84 percent / tetrahydrofuran / 60 °C / overnight

3: 90 percent / SOCl₂ / dimethylformamide / 0.75 h / 45 °C

4: H₂ / 10percent Pd/C / acetic acid / 18 h / 55 °C / 2585.7 Torr

With thionyl chloride; hydrogen; dicyclohexyl-carbodiimide; palladium on activated charcoal; In tetrahydrofuran; acetic acid; N,N-dimethyl-formamide;

upstream raw materials:

1,N-dibenzyl-1H-pyrrole-3,4-dicarboximide

1-benzyl-pyrrole-3,4-dicarboxylic acid

1-benzyl-1H-pyrrole-3,4-dicarboxylic anhydride

1-benzyl-4-benzylcarbamoyl-1H-pyrrole-3-carboxylic acid

Downstream raw materials:

2-benzyloctahydropyrrolo[3,4-c]pyrrole

octahydro-2-benzyl-5-(2-thiazolyl)pyrrolo<3,4-c>pyrrole

octahydro-2-benzyl-5-(2-pyrimidinyl)pyrrolo<3,4-c>pyrrole