Isoquinoline, 3,4-dihydro-1-(4-methylphenyl)-

Base Information

• Chemical Name: Isoquinoline, 3,4-dihydro-1-(4-methylphenyl)-
• CAS No.: 61305-03-1
• Molecular Formula: C16H15N
• Molecular Weight: 221.302
• DSSTox Substance ID: DTXSID70473222
• Nikkaji Number: J2.400.151B
• Wikidata: Q82302489

Synonyms:61305-03-1;1-(p-Tolyl)-3,4-dihydroisoquinoline;Isoquinoline, 3,4-dihydro-1-(4-methylphenyl)-;SCHEMBL13805616;DTXSID70473222

Chemical Property of Isoquinoline, 3,4-dihydro-1-(4-methylphenyl)-

Chemical Property:

• PSA: 12.36000
• LogP: 2.82410
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 221.120449483
• Heavy Atom Count: 17
• Complexity: 286

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=NCCC3=CC=CC=C32

Technology Process of Isoquinoline, 3,4-dihydro-1-(4-methylphenyl)-

There total 14 articles about Isoquinoline, 3,4-dihydro-1-(4-methylphenyl)- 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: 90.0%

1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline (112891-31-3) → 1-(4'-methylphenyl)-3,4-dihydroisoquinoline (61305-03-1)

Guidance literature:

With N,N-dimethyl-formamide; at 100 ℃; for 24h; chemoselective reaction; Schlenk technique; Green chemistry;

DOI:10.1016/j.tetlet.2016.01.008

Reference yield: 90.0%

→ 1-(4'-methylphenyl)-3,4-dihydroisoquinoline (61305-03-1) + 1-(4′-methylphenyl)isoquinoline (101273-46-5)

Guidance literature:

With air; In N,N-dimethyl-formamide; at 100 ℃; for 24h; Schlenk technique; Green chemistry;

Reference yield: 88.0%

4-methyl-N-(2-phenylethyl)benzamide (38925-77-8) → 1-(4'-methylphenyl)-3,4-dihydroisoquinoline (61305-03-1)

Guidance literature:

With phosphorus pentoxide; phosphoric acid; at 170 ℃; for 1h;

DOI:10.1039/d0cc01969k DOI:10.1039/d0ob02096f

upstream raw materials:

4-methyl-N-(2-phenylethyl)benzamide

4-methyl-benzoyl chloride

phenethylamine

1-(methylsulfanyl)-3,4-dihydroisoquinoline

Downstream raw materials:

1-[2-(3,4-Dimethoxy-phenyl)-4-oxo-3-phenoxy-azetidin-1-yl]-9b-p-tolyl-1,4,5,9b-tetrahydro-azeto[2,1-a]isoquinolin-2-one

(E)-3-((1S,9bS)-2-Oxo-9b-p-tolyl-1,4,5,9b-tetrahydro-2H-azeto[2,1-a]isoquinolin-1-ylamino)-but-2-enoic acid ethyl ester

1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline

1-(4-Methyl-3-nitrophenyl)-7-nitro-3,4-dihydroisochinolin

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