6,11-Dimethylbenzo(b)naphtho(2,3-d)thiophene

Base Information

• Chemical Name: 6,11-Dimethylbenzo(b)naphtho(2,3-d)thiophene
• CAS No.: 32362-68-8
• Deprecated CAS: 33944-31-9
• Molecular Formula: C₁₈H₁₄S
• Molecular Weight: 262.38
• Hs Code.: 2934999090
• UNII: AS6L874ZKV
• DSSTox Substance ID: DTXSID40186079
• Nikkaji Number: J36.034A
• Wikidata: Q83057278
• Mol file: 32362-68-8.mol

Synonyms:6,11-dimethylbenzo(b)naphtho(2,3-d)thiophene;S-DMBA

Chemical Property of 6,11-Dimethylbenzo(b)naphtho(2,3-d)thiophene

Chemical Property:

• Vapor Pressure: 3.24E-08mmHg at 25°C
• Refractive Index: 1.6170 (estimate)
• Boiling Point: 460.3°Cat760mmHg
• Flash Point: 175.3°C
• PSA: 28.24000
• Density: 1.227g/cm³
• LogP: 5.82450
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 262.08162162
• Heavy Atom Count: 19
• Complexity: 339

Purity/Quality:

99% ^*data from raw suppliers

6,11-DIMETHYLBENZO(B)NAPHTHO(2,3-D)THIOPHENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C3=CC=CC=C3SC2=C(C4=CC=CC=C14)C

Technology Process of 6,11-Dimethylbenzo(b)naphtho(2,3-d)thiophene

There total 2 articles about 6,11-Dimethylbenzo(b)naphtho(2,3-d)thiophene 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:

methyl magnesium iodide (917-64-6) + <1>benzothieno<2,3-b>-1,4-naphthoquinone (21503-35-5) → 6,11-dimethyl-benzo[b]naphtho[2,3-d]thiophene (32362-68-8,33944-31-9)

Guidance literature:

With benzene; anschliessend Behandeln mit wss. Jodwasserstoffsaeure und Essigsaeure und Erhitzen des Reaktionsprodukts in Dioxan mit Zinn(II)-chlorid und wss. Salzsaeure;

upstream raw materials:

methyl magnesium iodide

<1>benzothieno<2,3-b>-1,4-naphthoquinone