1,2,4-Triazolo[3,4-a]isoquinoline, 5,6-dihydro-5,5-dimethyl-3-phenyl-

Base Information

• Chemical Name: 1,2,4-Triazolo[3,4-a]isoquinoline, 5,6-dihydro-5,5-dimethyl-3-phenyl-
• CAS No.: 147567-56-4
• Molecular Formula: C18H17N3
• Molecular Weight: 275.353
• DSSTox Substance ID: DTXSID90351311
• Wikidata: Q82127631
• ChEMBL ID: CHEMBL1594779
• Mol file: 147567-56-4.mol

Synonyms:147567-56-4;1,2,4-Triazolo[3,4-a]isoquinoline, 5,6-dihydro-5,5-dimethyl-3-phenyl-;Cambridge id 5266351;MLS000105342;SCHEMBL3001139;CHEMBL1594779;DTXSID90351311;HMS1686E13;HMS2420E12;STK835156;AKOS000548272;CCG-111847;SMR000102223;CL-406115;SR-01000492208;SR-01000492208-1;3-phenyl-5,5-dimethyl-5,6-dihydro-1,2,4-triazolo[3,4-a]isoquinoline;5,5-dimethyl-3-phenyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline

Chemical Property of 1,2,4-Triazolo[3,4-a]isoquinoline, 5,6-dihydro-5,5-dimethyl-3-phenyl-

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 275.142247555
• Heavy Atom Count: 21
• Complexity: 375

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC2=CC=CC=C2C3=NN=C(N31)C4=CC=CC=C4)C

Technology Process of 1,2,4-Triazolo[3,4-a]isoquinoline, 5,6-dihydro-5,5-dimethyl-3-phenyl-

There total 7 articles about 1,2,4-Triazolo[3,4-a]isoquinoline, 5,6-dihydro-5,5-dimethyl-3-phenyl- 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: 84.0%

-3,3-dimethyl-3,4-dihydroisoquinoline (147567-55-3) → 5,5-dimethyl-3-phenyl-5,6-dihydro-1,2,4-triazolo[3,4-a]isoquinoline (147567-56-4)

Guidance literature:

In various solvent(s); for 3h; Heating;

DOI:10.1007/BF00474507

Reference yield: 80.0%

N-benzylidene-N'-(3,3-dimethyl-3,4-dihydro-2H-isoquinolin-1-ylidene)-hydrazine; hydrochloride → 5,5-dimethyl-3-phenyl-5,6-dihydro-1,2,4-triazolo[3,4-a]isoquinoline (147567-56-4)

Guidance literature:

With iron(III) chloride; In methanol; for 3h; Heating;

DOI:10.1007/BF02471885

Reference yield:

benzaldehyde (100-52-7) → 5,5-dimethyl-3-phenyl-5,6-dihydro-1,2,4-triazolo[3,4-a]isoquinoline (147567-56-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 72 percent / propan-2-ol

2: 80 percent / FeCl₃*6H₂O / methanol / 3 h / Heating

With iron(III) chloride; In methanol; isopropyl alcohol; 1: Condensation / 2: Cyclization;

DOI:10.1007/BF02471885

upstream raw materials:

-3,3-dimethyl-3,4-dihydroisoquinoline

benzaldehyde

1-methylsulfanyl-3,3-dimethyl-3,4-dihydroisoquinoline

benzoic acid hydrazide

Downstream raw materials:

[Cu(3-phenyl-5,5-dimethyl-5,6-dihydro-1,2,4-triazolo[3,4-a]isoquinoline)2(NO₃)2]

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