Benzyl 3,4-dihydroisoquinoline-2(1H)-carboxylate

Base Information

• Chemical Name: Benzyl 3,4-dihydroisoquinoline-2(1H)-carboxylate
• CAS No.: 142266-67-9
• Molecular Formula: C17H17NO2
• Molecular Weight: 267.327
• DSSTox Substance ID: DTXSID50571553
• Nikkaji Number: J841.358D
• Wikidata: Q82459659
• Mol file: 142266-67-9.mol

Synonyms:BENZYL 3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE;142266-67-9;SCHEMBL324228;DTXSID50571553

Chemical Property of Benzyl 3,4-dihydroisoquinoline-2(1H)-carboxylate

Chemical Property:

• PSA: 29.54000
• LogP: 3.31940
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 267.125928785
• Heavy Atom Count: 20
• Complexity: 325

Purity/Quality:

benzyl3,4-dihydroisoquinoline-2(1H)-carboxylate 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3

Technology Process of Benzyl 3,4-dihydroisoquinoline-2(1H)-carboxylate

There total 10 articles about Benzyl 3,4-dihydroisoquinoline-2(1H)-carboxylate 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: 96.0%

1,2,3,4-tetrahydroisoquinoline (91-21-4) + carbon dioxide (124-38-9,18923-20-1) + benzyl alcohol (100-51-6,185532-71-2) → N-benzyloxycarbonyl-1,2,3,4-tetrahydroisoquinoline (142266-67-9)

Guidance literature:

1,2,3,4-tetrahydroisoquinoline; carbon dioxide; benzyl alcohol; With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; for 0.75h; under 760.051 Torr;

With tributylphosphine; di-tert-butyl-diazodicarboxylate; In acetonitrile; under 760.051 Torr; Inert atmosphere;

DOI:10.1021/ol100259j

Reference yield: 89.0%

1,2,3,4-tetrahydroisoquinoline (14099-81-1) + benzyl chloroformate (501-53-1,94274-21-2) → N-benzyloxycarbonyl-1,2,3,4-tetrahydroisoquinoline (142266-67-9)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 17h;

DOI:10.1016/j.ejmech.2006.03.005

Reference yield: 88.0%

tert-butyl 1,2,3,4-tetrahydroisoquinoline-2-carboxylate (138350-92-2) + benzyl alcohol (100-51-6,185532-71-2) → N-benzyloxycarbonyl-1,2,3,4-tetrahydroisoquinoline (142266-67-9)

Guidance literature:

tert-butyl 1,2,3,4-tetrahydroisoquinoline-2-carboxylate; With 2-chloropyridine; trifluoromethylsulfonic anhydride; In dichloromethane; at 20 ℃; for 1.08333h; Inert atmosphere;

benzyl alcohol; With triethylamine; In dichloromethane; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1016/j.tetlet.2016.09.038

upstream raw materials:

1,2,3,4-tetrahydro-2-benzyloxycarbonyl-4-phenylthioisoquinoline

1,2,3,4-tetrahydroisoquinoline

carbon dioxide

benzyl alcohol

Downstream raw materials:

N-benzoyl-1,2,3,4-tetrahydroisoquinoline

N-acetyl-1,2,3,4-tetrahydroisoquinoline

1,2,3,4-tetrahydroisoquinoline

N-benzyloxycarbonyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline

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