3-Phenylpyrrolo[2,1-a]isoquinoline

Base Information

• Chemical Name: 3-Phenylpyrrolo[2,1-a]isoquinoline
• CAS No.: 20958-78-5
• Molecular Formula: C₁₈H₁₃N
• Molecular Weight: 243.308
• NSC Number: 131464
• DSSTox Substance ID: DTXSID40299577
• Wikidata: Q82042049
• Mol file: 20958-78-5.mol

Synonyms:3-phenylpyrrolo[2,1-a]isoquinoline;20958-78-5;NSC131464;SCHEMBL2682986;DTXSID40299577;NSC-131464;3-phenyl-4H-pyrrolo[2,1-a]isoquinoline

Chemical Property of 3-Phenylpyrrolo[2,1-a]isoquinoline

Chemical Property:

• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 243.104799419
• Heavy Atom Count: 19
• Complexity: 307

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC=C3N2C=CC4=CC=CC=C43

Technology Process of 3-Phenylpyrrolo[2,1-a]isoquinoline

There total 10 articles about 3-Phenylpyrrolo[2,1-a]isoquinoline 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: 19.0%

fluoroborate de 2-benzoyl-1,2-dihydroisoquinaldonitrile (68001-26-3) + acetylene (74-86-2,25067-58-7) → 3-phenyl-pyrrolo[2,1-a]isoquinoline (20958-78-5)

Guidance literature:

In dimethyl sulfoxide; at 25 ℃; for 80h; Product distribution; other alkyne; other Reissert hydrofluoroborates; var. temp., reaction times and solvents;

DOI:10.1021/jo00137a014

Reference yield:

3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline (855463-32-0) → 3-phenyl-pyrrolo[2,1-a]isoquinoline (20958-78-5)

Guidance literature:

With palladium on activated charcoal; at 200 ℃; under 70 Torr;

DOI:10.1021/ja01111a022

Reference yield:

3-phenyl-pyrrolo[2,1-a]isoquinoline-2-carboxylic acid amide (412297-61-1) → 3-phenyl-pyrrolo[2,1-a]isoquinoline (20958-78-5)

Guidance literature:

With phosphorus oic acid;

DOI:10.1021/ja01111a022

upstream raw materials:

3-(isoquinolin-1-yl)-1-phenylpropan-1-one

3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline

3-phenyl-pyrrolo[2,1-a]isoquinoline-2-carboxylic acid amide

fluoroborate de 2-benzoyl-1,2-dihydroisoquinaldonitrile