2-Benzyl-2,3-dihydro-1H-isoindole

Base Information

• Chemical Name: 2-Benzyl-2,3-dihydro-1H-isoindole
• CAS No.: 35180-14-4
• Molecular Formula: C15H15N
• Molecular Weight: 209.291
• DSSTox Substance ID: DTXSID30956627
• Nikkaji Number: J1.932.999B
• Wikidata: Q82936726
• Mol file: 35180-14-4.mol

Synonyms:2-Benzylisoindoline;2-Benzyl-2,3-dihydro-1H-isoindole;35180-14-4;2-benzyl-1,3-dihydroisoindole;N-benzylisoindoline;N-benzyl-isoindoline;N-benzyl dihydroisoindole;SCHEMBL6672942;DTXSID30956627;MFCD04585043;SC5142;STK983766;AKOS005641528;SB65609;AC-20750;BS-51668;CS-0161428

Chemical Property of 2-Benzyl-2,3-dihydro-1H-isoindole

Chemical Property:

• Vapor Pressure: 0.000923mmHg at 25°C
• Refractive Index: 1.626
• Boiling Point: 303.6°C at 760 mmHg
• Flash Point: 125.3°C
• PSA: 3.24000
• Density: 1.113g/cm³
• LogP: 3.14030
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 209.120449483
• Heavy Atom Count: 16
• Complexity: 206

Purity/Quality:

95% Min ^*data from raw suppliers

2-BENZYL-2,3-DIHYDRO-1H-ISOINDOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C2=CC=CC=C2CN1CC3=CC=CC=C3

Technology Process of 2-Benzyl-2,3-dihydro-1H-isoindole

There total 10 articles about 2-Benzyl-2,3-dihydro-1H-isoindole 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%

N-benzylphthalimide (2142-01-0) → N-benzylisoindoline (35180-14-4)

Guidance literature:

With tris(pentafluorophenyl)borate; 1,1,3,3-tetramethyldisilazane; In toluene; at 110 ℃;

Reference yield: 88.0%

α,α'-dibromo-o-xylene (91-13-4) + benzylamine (100-46-9) → N-benzylisoindoline (35180-14-4)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; at 20 ℃; for 0.5h;

Reference yield: 86.0%

benzylamine (100-46-9) + o-carboxybenzaldehyde (119-67-5) → N-benzylisoindoline (35180-14-4)

Guidance literature:

With phenylsilane; C₉H₈FeN₂O₈S₂; In neat (no solvent); at 100 ℃; for 20h; Schlenk technique; Inert atmosphere; Glovebox; Irradiation;

DOI:10.1002/adsc.201801656

upstream raw materials:

N-benzylphthalimide

benzylamine

phthalyl alcohol

α,α'-dibromo-o-xylene

Downstream raw materials:

isoindoline

benzyl bromide

N-benzylphthalimide

2-benzyl-3-hydroxy-2,3-dihydro-isoindol-1-one