2-Benzyl-1,2,3,4-tetrahydroisoquinoline

Base Information

• Chemical Name: 2-Benzyl-1,2,3,4-tetrahydroisoquinoline
• CAS No.: 13605-95-3
• Molecular Formula: C16H17N
• Molecular Weight: 223.318
• DSSTox Substance ID: DTXSID60274780
• Nikkaji Number: J922.043G
• Wikidata: Q82004234
• ChEMBL ID: CHEMBL21272
• Mol file: 13605-95-3.mol

Synonyms:2-benzyl-1,2,3,4-tetrahydroisoquinoline;13605-95-3;CHEMBL21272;2-benzyl-3,4-dihydro-1H-isoquinoline;Oprea1_499214;SCHEMBL10978742;DTXSID60274780;BDBM50017029;STK119107;AKOS005400725;N-benzyl-1,2,3,4-tetrahydroisoquinoline;2-Benzyl-1,2,3,4-tetrahydro-isoquinoline;CS-0259386;EN300-7314996;Z54752168

Chemical Property of 2-Benzyl-1,2,3,4-tetrahydroisoquinoline

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 223.136099547
• Heavy Atom Count: 17
• Complexity: 232

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CC2=CC=CC=C21)CC3=CC=CC=C3

Technology Process of 2-Benzyl-1,2,3,4-tetrahydroisoquinoline

There total 32 articles about 2-Benzyl-1,2,3,4-tetrahydroisoquinoline 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: 100.0%

2-Benzyl-3,4-dihydro-isoquinolinium; perchlorate → N-benzyl-1,2,3,4-tetrahydroisoquinoline (13605-95-3)

Guidance literature:

With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; In acetonitrile; Heating;

Reference yield: 96.0%

2-benzylisoquinolin-2-ium bromide (23277-04-5) → N-benzyl-1,2,3,4-tetrahydroisoquinoline (13605-95-3)

Guidance literature:

With formic acid; triethylamine; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; In dichloromethane; at 40 ℃; for 4h;

DOI:10.1055/s-2006-949606

Reference yield: 95.0%

1,2,3,4-tetrahydroisoquinoline (91-21-4) + benzyl chloride (100-44-7) → N-benzyl-1,2,3,4-tetrahydroisoquinoline (13605-95-3)

Guidance literature:

In acetonitrile; at 20 ℃;

DOI:10.1016/j.bmcl.2013.12.069

upstream raw materials:

2-benzyl-isoquinolinium; chloride

2-benzylisoquinolin-2-ium iodide

1,2,3,4-tetrahydroisoquinoline

benzyl bromide

Downstream raw materials:

N-Methyl-N-benzyl-1,2,3,4-tetrahydroisochinoliniumiodid

2-benzyl-7-nitro-1,2,3,4-tetrahydroisoquinoline

1,2,3,4-tetrahydroisoquinoline

2-(4-benzylphenyl)-3,4-dihydroisoquinolin-1(2H)-one