1,2-Bis[2-methylbenzo[b]thiophen-3-yl]-3,3,4,4,5,5-hexafluoro-1-cyclopentene

Base Information

• Chemical Name: 1,2-Bis[2-methylbenzo[b]thiophen-3-yl]-3,3,4,4,5,5-hexafluoro-1-cyclopentene
• CAS No.: 137814-07-4
• Molecular Formula: C23H14F6S2
• Molecular Weight: 468.487
• DSSTox Substance ID: DTXSID70464958
• Nikkaji Number: J805.035J
• Wikidata: Q82290546
• Mol file: 137814-07-4.mol

Synonyms:137814-07-4;1,2-Bis[2-methylbenzo[b]thiophen-3-yl]-3,3,4,4,5,5-hexafluoro-1-cyclopentene;3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-methyl-1-benzothiophene;BenzothiopheneDTE;Benzo[b]thiophene, 3,3'-(3,3,4,4,5,5-hexafluoro-1-cyclopentene-1,2-diyl)bis[2-methyl-;1,2-Bis[2-methylbenzo[b]thiophen-3-yl]-3,3,4,4,5,5-hexafluoro-1-cyclopentene (purified by sublimation);1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene;1,2-Bis[2-methylbenzo[b]thiophen-3-yl]-3,3,4,4,5,5-hexafluoro-;CNLMHUFAXSWHFA-UHFFFAOYSA-N;SCHEMBL392860;YSZC2431;DTXSID70464958;MFCD06656279;AKOS015842376;AS-74087;B2287;B5623;CS-0182201;T70238;1,2-bis(2-methyl-3-benzothienyl)perfluorocyclopentene;3,3'-(perfluorocyclopent-1-ene-1,2-diyl)bis(2-methylbenzo[b]thiophene);3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopent-1-en-1-yl]-2-methyl-1-benzothiophene

Chemical Property of 1,2-Bis[2-methylbenzo[b]thiophen-3-yl]-3,3,4,4,5,5-hexafluoro-1-cyclopentene

Chemical Property:

• Vapor Pressure: 7.24E-10mmHg at 25°C
• Melting Point: 160 °C
• Refractive Index: 1.636
• Boiling Point: 506.1°C at 760 mmHg
• Flash Point: 259.9°C
• PSA: 56.48000
• Density: 1.48g/cm³
• LogP: 8.56310
• Solubility.: slightly sol. in Tetrahydrofuran
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 468.04411177
• Heavy Atom Count: 31
• Complexity: 705

Purity/Quality:

99%, ^*data from raw suppliers

1,2-Bis[2-methylbenzo[b]thiophen-3-yl]-3,3,4,4,5,5-hexafluoro-1-cyclopentene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=CC=CC=C2S1)C3=C(C(C(C3(F)F)(F)F)(F)F)C4=C(SC5=CC=CC=C54)C

Technology Process of 1,2-Bis[2-methylbenzo[b]thiophen-3-yl]-3,3,4,4,5,5-hexafluoro-1-cyclopentene

There total 8 articles about 1,2-Bis[2-methylbenzo[b]thiophen-3-yl]-3,3,4,4,5,5-hexafluoro-1-cyclopentene 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: 73.0%

3-bromo-2-methylbenzo[b]thiophene (10243-15-9) + octaperfluorocyclopentene (559-40-0) → 1,2-bis(2-methyl-1-benzothiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopent-1-ene (137814-07-4)

Guidance literature:

3-bromo-2-methylbenzo[b]thiophene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h; Inert atmosphere;

octaperfluorocyclopentene; In tetrahydrofuran; hexane; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1055/s-0036-1588796

Reference yield: 49.0%

octaperfluorocyclopentene (559-40-0) + 3-iodo-2-methylbenzo[b]thiophene (139625-61-9) → 1,2-bis(2-methyl-1-benzothiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopent-1-ene (137814-07-4)

Guidance literature:

3-iodo-2-methylbenzo[b]thiophene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h; Inert atmosphere;

octaperfluorocyclopentene; In tetrahydrofuran; hexane; at -78 ℃; for 1h; Inert atmosphere;

DOI:10.1002/poc.2963

Reference yield:

3-bromo-2-methylbenzo[b]thiophene (10243-15-9) + 3-(2-fluoro-3,3,4,4,5,5-hexafluorocyclopent-1-en-1-yl)-2-methylbenzo[b]thiophene (152431-65-7) → 1,2-bis(2-methyl-1-benzothiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopent-1-ene (137814-07-4)

Guidance literature:

3-bromo-2-methylbenzo[b]thiophene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

3-(2-fluoro-3,3,4,4,5,5-hexafluorocyclopent-1-en-1-yl)-2-methylbenzo[b]thiophene; In tetrahydrofuran; hexane; at -95 - 20 ℃;

DOI:10.1246/bcsj.76.1625

upstream raw materials:

3-bromo-2-methylbenzo[b]thiophene

octaperfluorocyclopentene

C₂₃H₁₄F₆S₂

3-(2-fluoro-3,3,4,4,5,5-hexafluorocyclopent-1-en-1-yl)-2-methylbenzo[b]thiophene

Downstream raw materials:

1,2-Bis[6-(4-formylphenyl)-2-methyl-1-benzothiophen-3-yl]hexafluorocyclopentene

1,2-Bis{6-[4-(1-oxyl-3-oxide-4,4,5,5-tetramethylimidazolin-2-yl)phenyl]-2-methyl-1-benzothiophen-3-yl}hexafluorocyclopentene

C₃₇H₂₁F₇N₂O₂S₃

C₃₂H₁₉F₆NS₃

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