2-(m-Methoxyphenyl)-5,6-dihydro-s-triazolo(5,1-a)isoquinoline

Base Information

• Chemical Name: 2-(m-Methoxyphenyl)-5,6-dihydro-s-triazolo(5,1-a)isoquinoline
• CAS No.: 55308-37-7
• Molecular Formula: C17H15N3O
• Molecular Weight: 277.35
• NSC Number: 298267
• UNII: 7NI72Z3M5E
• DSSTox Substance ID: DTXSID00203857
• Nikkaji Number: J91.110K
• Wikidata: Q83077274
• ChEMBL ID: CHEMBL1889136

Synonyms:2-(3-methoxyphenyl)-5,6-dihydro-s-triazolo(5,1-a)isoquinoline;L 10503;L-10503

Chemical Property of 2-(m-Methoxyphenyl)-5,6-dihydro-s-triazolo(5,1-a)isoquinoline

Chemical Property:

• Vapor Pressure: 9.87E-11mmHg at 25°C
• Boiling Point: 515.4°Cat760mmHg
• Flash Point: 265.5°C
• Density: 1.27g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 277.121512110
• Heavy Atom Count: 21
• Complexity: 364

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)C2=NN3CCC4=CC=CC=C4C3=N2

Technology Process of 2-(m-Methoxyphenyl)-5,6-dihydro-s-triazolo(5,1-a)isoquinoline

There total 2 articles about 2-(m-Methoxyphenyl)-5,6-dihydro-s-triazolo(5,1-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:

hydrochloride of m-methoxybenzimidic acid ethyl ester + 2-amino-3,4-dihydro-1(2H)-isoquinolinone (39113-01-4) + ethyl 3-methoxybenzimidate (55308-52-6) → 2-(m-methoxybenzimidoylamino)-3,4-dihydro-1-(2H)-isoquinolinone (55308-53-7) + 2-(3-methoxy-phenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline (55308-37-7)

Guidance literature:

Reference yield:

→ 2-(3-methoxy-phenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline (55308-37-7)

Guidance literature:

aus Imidsaeureethylester u. 2-Aminodihydroisochinolon;

Reference yield:

2-(3-methoxy-phenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline (55308-37-7) → 2-(3-methoxy-phenyl)-[1,2,4]triazolo[5,1-a]isoquinoline (55309-14-3)

Guidance literature:

With manganese dioxide; In benzene;

upstream raw materials:

2-amino-3,4-dihydro-1(2H)-isoquinolinone

ethyl 3-methoxybenzimidate

Downstream raw materials:

2-(3-methoxy-phenyl)-[1,2,4]triazolo[5,1-a]isoquinoline

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