5,11-Dimethyl[1]benzothieno[3,2-g]isoquinoline

Base Information

• Chemical Name: 5,11-Dimethyl[1]benzothieno[3,2-g]isoquinoline
• CAS No.: 23018-34-0
• Molecular Formula: C₁₇H₁₃NS
• Molecular Weight: 263.363
• NSC Number: 125630
• DSSTox Substance ID: DTXSID50298733
• Wikidata: Q82040745
• Mol file: 23018-34-0.mol

Synonyms:23018-34-0;5,11-Dimethylbenzo[4,5]thieno[3,2-g]isoquinoline;5,11-dimethyl[1]benzothieno[3,2-g]isoquinoline;Isothiaellipticine;NSC125630;DTXSID50298733;NSC-125630

Chemical Property of 5,11-Dimethyl[1]benzothieno[3,2-g]isoquinoline

Chemical Property:

• Vapor Pressure: 9.53E-09mmHg at 25°C
• Boiling Point: 475.4°Cat760mmHg
• Flash Point: 231.1°C
• Density: 1.272g/cm³
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 263.07687059
• Heavy Atom Count: 19
• Complexity: 344

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C=CN=CC2=C(C3=C1C4=CC=CC=C4S3)C

Technology Process of 5,11-Dimethyl[1]benzothieno[3,2-g]isoquinoline

There total 3 articles about 5,11-Dimethyl[1]benzothieno[3,2-g]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: 39.0%

1-(2-Ethyl-benzo[b]thiophen-3-yl)-1-pyridin-4-yl-ethanol (82351-78-8) → 5,10-dimethylbenzothieno<3,2-g>isoquinoline (23018-34-0) + 4-[1-(2-Ethyl-benzo[b]thiophen-3-yl)-ethyl]-pyridine (82351-90-4)

Guidance literature:

at 400 ℃; for 0.116667h;

DOI:10.1021/jo00139a043

Reference yield:

5,11-dimethyl-3,4-dihydro-benzo[4,5]thieno[3,2-g]isoquinoline (23131-40-0) → 5,10-dimethylbenzothieno<3,2-g>isoquinoline (23018-34-0)

Guidance literature:

palladium on activated charcoal; at 210 ℃;

Reference yield:

N-[2-(1,4-dimethyl-dibenzothiophen-2-yl)-ethyl]-formamide (23018-31-7) → 5,10-dimethylbenzothieno<3,2-g>isoquinoline (23018-34-0)

Guidance literature:

Multi-step reaction with 2 steps

1: polyphosphoric acid / 3 h / 140 °C

2: Pd-C / 210 °C

With PPA; palladium on activated charcoal;

upstream raw materials:

5,11-dimethyl-3,4-dihydro-benzo[4,5]thieno[3,2-g]isoquinoline

1-(2-Ethyl-benzo[b]thiophen-3-yl)-1-pyridin-4-yl-ethanol

N-[2-(1,4-dimethyl-dibenzothiophen-2-yl)-ethyl]-formamide

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