5-Methyl[1]benzothieno[2,3-g]isoquinoline

Base Information

• Chemical Name: 5-Methyl[1]benzothieno[2,3-g]isoquinoline
• CAS No.: 25121-97-5
• Molecular Formula: C16H11NS
• Molecular Weight: 249.3302
• NSC Number: 128312
• DSSTox Substance ID: DTXSID40299118
• Wikidata: Q82041326
• Mol file: 25121-97-5.mol

Synonyms:25121-97-5;5-methyl[1]benzothieno[2,3-g]isoquinoline;NSC128312;11-Demethylthiaellipticine;Thiaellipticine, 11-demethyl-;DTXSID40299118;NSC-128312

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

Chemical Property:

• Vapor Pressure: 1.15E-08mmHg at 25°C
• Boiling Point: 473.1°Cat760mmHg
• Flash Point: 233°C
• Density: 1.307g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 249.06122053
• Heavy Atom Count: 18
• Complexity: 318

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=CC3=C1SC4=CC=CC=C43

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

There total 3 articles about 5-Methyl[1]benzothieno[2,3-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: 25.0%

1-Benzo[b]thiophen-2-yl-1-(3-methyl-pyridin-4-yl)-ethanol (82351-80-2) → 5-methylbenzothieno<2,3-g>isoquinoline (25121-97-5) + 4-(1-Benzo[b]thiophen-2-yl-ethyl)-3-methyl-pyridine (82351-93-7)

Guidance literature:

at 450 ℃; for 0.116667h;

DOI:10.1021/jo00139a043

Reference yield: 12.0%

3-ethyl-2-<α-hydroxy-α-(4-pyridyl)ethyl>benzothiophene (82351-79-9) → 5-methylbenzothieno<2,3-g>isoquinoline (25121-97-5) + 6-thiaellipticine (21339-68-4) + 4-[1-(3-Ethyl-benzo[b]thiophen-2-yl)-ethyl]-pyridine (82351-91-5)

Guidance literature:

at 400 ℃; for 0.116667h;

DOI:10.1021/jo00139a043

Reference yield:

(2,2-diethoxy-ethyl)-(4-methyl-dibenzothiophen-2-ylmethylene)-amine (25121-96-4) → 5-methylbenzothieno<2,3-g>isoquinoline (25121-97-5)

Guidance literature:

With phosphoric acid;

upstream raw materials:

(2,2-diethoxy-ethyl)-(4-methyl-dibenzothiophen-2-ylmethylene)-amine

1-Benzo[b]thiophen-2-yl-1-(3-methyl-pyridin-4-yl)-ethanol

3-ethyl-2-<α-hydroxy-α-(4-pyridyl)ethyl>benzothiophene

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