Benzo(b)naphtho(2,3-d)thiophene, 6-methyl-

Base Information

• Chemical Name: Benzo(b)naphtho(2,3-d)thiophene, 6-methyl-
• CAS No.: 24360-63-2
• Molecular Formula: C₁₇H₁₂S
• Molecular Weight: 248.348
• DSSTox Substance ID: DTXSID20179106
• Nikkaji Number: J102.908H
• Wikidata: Q83049620
• Mol file: 24360-63-2.mol

Synonyms:6-Methylbenzo(b)naphtho(2,3-d)thiophene;24360-63-2;Benzo(b)naphtho(2,3-d)thiophene, 6-methyl-;Benzo[b]naphtho[2,3-d]thiophene, 6-methyl-;SCHEMBL16283914;DTXSID20179106;SMVYLXVOJHVADR-UHFFFAOYSA-N;6-Methylnaphtho[2,3-b][1]benzothiophene

Chemical Property of Benzo(b)naphtho(2,3-d)thiophene, 6-methyl-

Chemical Property:

• Vapor Pressure: 9.54E-08mmHg at 25°C
• Boiling Point: 446.5°C at 760 mmHg
• Flash Point: 168.8°C
• PSA: 28.24000
• Density: 1.257g/cm³
• LogP: 5.51610
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 248.06597156
• Heavy Atom Count: 18
• Complexity: 313

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=CC3=CC=CC=C13)C4=CC=CC=C4S2

Technology Process of Benzo(b)naphtho(2,3-d)thiophene, 6-methyl-

There total 4 articles about Benzo(b)naphtho(2,3-d)thiophene, 6-methyl- 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-(3-Ethyl-benzo[b]thiophen-2-yl)-1-phenyl-ethanol → 5-methylbenzonaphtho<2,3-d>thiophene (24360-63-2) + 6,11-dimethyl-benzo[b]naphtho[2,3-d]thiophene (32362-68-8,33944-31-9)

Guidance literature:

at 400 ℃; for 0.116667h;

Reference yield: 38.0%

benzyne (462-80-6,53356-60-8,193469-78-2) + 1-methylbenzothieno<2,3-c>pyran-3-one (120571-72-4) → 5-methylbenzonaphtho<2,3-d>thiophene (24360-63-2)

Guidance literature:

In various solvent(s); for 12h; Heating;

Reference yield:

3-(2-acetylphenylmethyl)benzothiophene → 5-methylbenzonaphtho<2,3-d>thiophene (24360-63-2)

Guidance literature:

With PPA; at 100 ℃; for 0.25h; Yield given;

upstream raw materials:

benzyne

1-methylbenzothieno<2,3-c>pyran-3-one

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