2-benzyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

Base Information

• Chemical Name: 2-benzyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
• CAS No.: 130076-29-8
• Molecular Formula: C₁₅H₁₅NO₂
• Molecular Weight: 241.29
• NSC Number: 69984
• DSSTox Substance ID: DTXSID00290621
• Nikkaji Number: J2.640.227A
• ChEMBL ID: CHEMBL1441031
• Mol file: 130076-29-8.mol

Synonyms:2-benzyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione;130076-29-8;2-benzyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione;2-Benzyl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione;NSC69984;ChemDiv3_012797;Oprea1_077577;Oprea1_363453;MLS000525645;SCHEMBL6747736;CHEMBL1441031;DTXSID00290621;2-benzyl-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione;HMS1509F15;HMS2497C04;MFCD00523360;NSC-69984;STK268188;AKOS000741030;AKOS016340132;AS-0035;CCG-199953;SMR000116119;CS-0269955;EU-0028910;SR-01000572056;J-508106;SR-01000572056-1;BRD-A62195639-001-01-7;Z23218298

Chemical Property of 2-benzyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 241.110278721
• Heavy Atom Count: 18
• Complexity: 356

Purity/Quality:

98%min ^*data from raw suppliers

2-Benzyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C=CCC2C1C(=O)N(C2=O)CC3=CC=CC=C3

Technology Process of 2-benzyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

There total 1 articles about 2-benzyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-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:

benzyl chloride (100-44-7) + cis-1,2,3,6-Tetrahydrophthalimide (1469-48-3,565227-54-5) → N-benzyl-cis-1,2,3,6-tetrahydrophthalimide (130076-29-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide;

Reference yield:

N-benzyl-cis-1,2,3,6-tetrahydrophthalimide (130076-29-8) + (trifluoromethyl)trimethylsilane (81290-20-2) → 2-benzyl-3-trifluoromethyl-3-trimethylsilanyloxy-2,3,3a,4,7,7a-hexahydro-isoindol-1-one

Guidance literature:

With cesium fluoride; In tetrahydrofuran; at 0 - 20 ℃; for 4h;

DOI:10.1039/b407555b

Reference yield:

N-benzyl-cis-1,2,3,6-tetrahydrophthalimide (130076-29-8) → 2-benzyl-3-hydroxy-3-trifluoromethyl-2,3,3a,4,7,7a-hexahydro-isoindol-1-one

Guidance literature:

Multi-step reaction with 2 steps

1: CsF / tetrahydrofuran / 4 h / 0 - 20 °C

2: TBAF / tetrahydrofuran / 0.5 h

With tetrabutyl ammonium fluoride; cesium fluoride; In tetrahydrofuran;

DOI:10.1039/b407555b

upstream raw materials:

benzyl chloride

cis-1,2,3,6-Tetrahydrophthalimide

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