1-Methyl-3-phenylisoquinoline

Base Information

• Chemical Name: 1-Methyl-3-phenylisoquinoline
• CAS No.: 1721-96-6
• Molecular Formula: C16H13N
• Molecular Weight: 219.286
• DSSTox Substance ID: DTXSID20438927
• Nikkaji Number: J486.601K
• Wikidata: Q82254775

Synonyms:1-methyl-3-phenylisoquinoline;1721-96-6;isoquinoline,1-methyl-3-phenyl-;SCHEMBL7823188;DTXSID20438927;ZOXOLPGKTSLTFP-UHFFFAOYSA-N

Chemical Property of 1-Methyl-3-phenylisoquinoline

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 219.104799419
• Heavy Atom Count: 17
• Complexity: 244

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=CC2=CC=CC=C12)C3=CC=CC=C3

Technology Process of 1-Methyl-3-phenylisoquinoline

There total 81 articles about 1-Methyl-3-phenylisoquinoline 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: 89.0%

2-(2-(2-methyl-1,3-dioxolan-2-yl)phenyl)-1-phenylethan-1-one → 1-methyl-3-phenylisoquinoline (1721-96-6)

Guidance literature:

2-(2-(2-methyl-1,3-dioxolan-2-yl)phenyl)-1-phenylethan-1-one; With ammonium chloride; In ethanol; water; at 90 ℃; for 18h;

With ammonium bicarbonate; In water; at 90 ℃; for 24h; pH=9;

DOI:10.1039/c5ob02320c

Reference yield: 88.0%

o-(phenylethynyl)benzaldehyde (59046-72-9) → 1-methyl-3-phenylisoquinoline (1721-96-6) + (R)-1-(1H-indol-3-yl)-3-phenyl-2-tosyl-1,2-dihydroisoquinoline (1383456-23-2) + (R)-3-phenyl-1-(5-methoxy-1H-indol-3-yl)-2-tosyl-1,2-dihydroisoquinoline (1383456-30-1) + (Z)-1-benzylidene-3-(phenylethynyl)-1,3-dihydroisobenzofuran (1394324-93-6) + (S)-1-(1H-indol-3-yl)-3-phenyl-2-tosyl-1,2-dihydroisoquinoline + 1-methyl-3-phenylisoquinoline-2-oxide (1202458-12-5)

Guidance literature:

Inert atmosphere;

DOI:10.1021/jo302524a

Reference yield: 88.0%

o-(phenylethynyl)benzaldehyde (59046-72-9) → 1-methyl-3-phenylisoquinoline (1721-96-6) + (R)-1-(1H-indol-3-yl)-3-phenyl-2-tosyl-1,2-dihydroisoquinoline (1383456-23-2) + (R)-3-phenyl-1-(5-methoxy-1H-indol-3-yl)-2-tosyl-1,2-dihydroisoquinoline (1383456-30-1) + (Z)-1-benzylidene-3-(phenylethynyl)-1,3-dihydroisobenzofuran (1394324-93-6) + (S)-1-(1H-indol-3-yl)-3-phenyl-2-tosyl-1,2-dihydroisoquinoline + 1-methyl-3-phenylisoquinoline-2-oxide (1202458-12-5) + (S)-3-phenyl-1-(5-methoxy-1H-indol-3-yl)-2-tosyl-1,2-dihydroisoquinoline + phenyl(2-phenyl-3-(tributylstannyl)naphthalen-1-yl)methanone (1394324-92-5)

Guidance literature:

Inert atmosphere;

DOI:10.1021/jo302524a

upstream raw materials:

threo-2-acetamido-1,2-diphenylethan-1-ol

phenyl benzyl ketone

acetonitrile

(E)-1-bromo-1,2-diphenylethene

Downstream raw materials:

1-methyl-3-phenylisoquinoline-2-oxide

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