Benzo[b]thiophene, 3-(2-naphthalenyl)-

Base Information

• Chemical Name: Benzo[b]thiophene, 3-(2-naphthalenyl)-
• CAS No.: 55712-60-2
• Molecular Formula: C18H12S
• Molecular Weight: 260.35
• European Community (EC) Number: 637-253-7
• NSC Number: 163930
• DSSTox Substance ID: DTXSID90304024
• Nikkaji Number: J113.373J
• Wikidata: Q82049618
• Mol file: 55712-60-2.mol

Synonyms:Benzo[b]thiophene, 3-(2-naphthalenyl)-;55712-60-2;3-(2-Naphthyl)-1-thiaindene;NSC163930;3-(2-Naphtyl)benzo[b]thiophene;DTXSID90304024;BZUUVEAFJXNFER-UHFFFAOYSA-N;3-(2-Naphthyl)-1-benzothiophene #;NSC-163930

Chemical Property of Benzo[b]thiophene, 3-(2-naphthalenyl)-

Chemical Property:

• Vapor Pressure: 9.3E-08mmHg at 25°C
• Boiling Point: 446.8°C at 760 mmHg
• Flash Point: 169°C
• PSA: 28.24000
• Density: 1.225g/cm³
• LogP: 5.72150
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 260.06597156
• Heavy Atom Count: 19
• Complexity: 313

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C=C(C=CC2=C1)C3=CSC4=CC=CC=C43

Technology Process of Benzo[b]thiophene, 3-(2-naphthalenyl)-

There total 4 articles about Benzo[b]thiophene, 3-(2-naphthalenyl)- 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: 71.0%

6-methyl-2-(naphthalen-2-yl)-1,3,6,2-dioxazaborocane-4,8-dione (1356823-19-2) + Benzo[b]thiophene (95-15-8,11095-43-5) → 3-(2'-naphthyl)benzothiophene (55712-60-2)

Guidance literature:

With trifluorormethanesulfonic acid; C₂₄H₃₆N₂O₂Pd*2C₂H₄O₂; cesium trifluoroacetate; trifluoroacetic acid; p-benzoquinone; silver(l) oxide; In water; at 30 ℃; for 20h; regioselective reaction;

DOI:10.1055/s-0034-1379606

Reference yield: 55.0%

2-bromonaphthalene (580-13-2) + α,α-diphenyl-benzo[b]thien-3-ylmethanol (936734-99-5) → 3-(2'-naphthyl)benzothiophene (55712-60-2)

Guidance literature:

With palladium diacetate; caesium carbonate; tricyclohexylphosphine tetrafluoroborate; In o-xylene; at 110 ℃;

DOI:10.1002/ejoc.200600929

Reference yield: 39.0%

2-iodonaphthalene (612-55-5) + benzo[b]thiophen-3-yl-3-boronic acid (113893-08-6) → 3-(2'-naphthyl)benzothiophene (55712-60-2)

Guidance literature:

2-iodonaphthalene; With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,4-dioxane; at 20 ℃; for 0.333333h; Inert atmosphere;

benzo[b]thiophen-3-yl-3-boronic acid; With sodium hydrogencarbonate; In 1,4-dioxane; Inert atmosphere; Reflux;

DOI:10.1021/acs.orglett.0c03723

upstream raw materials:

2-bromonaphthalene

α,α-diphenyl-benzo[b]thien-3-ylmethanol

6-methyl-2-(naphthalen-2-yl)-1,3,6,2-dioxazaborocane-4,8-dione

Benzo[b]thiophene

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