2-Benzyl-5-bromoisoindoline-1,3-dione

Base Information

• Chemical Name: 2-Benzyl-5-bromoisoindoline-1,3-dione
• CAS No.: 82104-06-1
• Molecular Formula: C15H10BrNO2
• Molecular Weight: 316.154
• Hs Code.: 2925190090
• DSSTox Substance ID: DTXSID30367355
• Nikkaji Number: J1.952.132J
• Wikidata: Q82153140
• Mol file: 82104-06-1.mol

Synonyms:2-BENZYL-5-BROMOISOINDOLINE-1,3-DIONE;82104-06-1;2-benzyl-5-bromoisoindole-1,3-dione;N-Benzyl-4-bromophthalimide;2-Benzyl-5-bromo-isoindole-1,3-dione;Cambridge id 5161718;Oprea1_033830;Oprea1_071178;SCHEMBL3870839;DTXSID30367355;AB3066;MFCD00432470;STK247284;AKOS000732741;SB65673;AS-44683;2-benzyl-5-bromo-1H-isoindole-1,3(2H)-dione;2-benzyl-5-bromo-2,3-dihydro-1H-isoindole-1,3-dione

Chemical Property of 2-Benzyl-5-bromoisoindoline-1,3-dione

Chemical Property:

• PSA: 37.38000
• LogP: 3.18320
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 314.98949
• Heavy Atom Count: 19
• Complexity: 378

Purity/Quality:

97% ^*data from raw suppliers

2-Benzyl-5-bromoisoindoline-1,3-dione 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Technology Process of 2-Benzyl-5-bromoisoindoline-1,3-dione

There total 3 articles about 2-Benzyl-5-bromoisoindoline-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: 95.0%

4-bromophthalic anhydride (86-90-8) + benzylamine (100-46-9) → 2-benzyl-5-bromoisoindoline-1,3-dione (82104-06-1)

Guidance literature:

DOI:10.1002/1521-3773(20001215)39:24<4494::AID-ANIE4494>3.0.CO;2-X

Reference yield: 51.0%

carbon monoxide (201230-82-2) + 5-bromo-2-iodo-benzoic acid methyl ester (181765-86-6) + benzylamine (100-46-9) → 2-benzyl-5-bromoisoindoline-1,3-dione (82104-06-1)

Guidance literature:

With 1,3-bis-(diphenylphosphino)propane; palladium diacetate; caesium carbonate; In toluene; at 95 ℃; for 24h;

DOI:10.1021/jo800936h

Reference yield: 30.0%

→ 2-benzyl-5-bromoisoindoline-1,3-dione (82104-06-1)

Guidance literature:

In ethanol; Reflux;

upstream raw materials:

4-bromophthalic anhydride

benzylamine

carbon monoxide

5-bromo-2-iodo-benzoic acid methyl ester

Downstream raw materials:

2-benzyl-5-(phenylethynyl)isoindoline-1,3-dione

N-methylisoindoline-5-carboxamide

2-benzylisoindoline-5-carboxylic acid

2-benzyl-5-bromoisoindoline