2-(4-Methoxyphenyl)benzothiophene

Base Information

• Chemical Name: 2-(4-Methoxyphenyl)benzothiophene
• CAS No.: 27884-09-9
• Molecular Formula: C15H12OS
• Molecular Weight: 240.326
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20399761
• Nikkaji Number: J1.784.370B
• Wikidata: Q72517497
• Mol file: 27884-09-9.mol

Synonyms:2-(4-methoxyphenyl)benzothiophene;27884-09-9;2-(4-methoxyphenyl)benzo[b]thiophene;2-(4-methoxyphenyl)-1-benzothiophene;2-p-methoxyphenylbenzothiophene;SCHEMBL6173418;DTXSID20399761;ADKCFCOXELVRJV-UHFFFAOYSA-N;2-(4'-methoxyphenyl)benzo[b]thiophene;2-(4-methoxyphenyl)-benzo[b]thiophene;A819228

Chemical Property of 2-(4-Methoxyphenyl)benzothiophene

Chemical Property:

• Melting Point: 186-189°C
• Boiling Point: 401.2 °C at 760 mmHg
• Flash Point: 196.4 °C
• PSA: 37.47000
• Density: 1.187 g/cm³
• LogP: 4.57690
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 240.06088618
• Heavy Atom Count: 17
• Complexity: 247

Purity/Quality:

97% ^*data from raw suppliers

2-(4-METHOXYPHENYL)BENZOTHIOPHENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=CC3=CC=CC=C3S2

Technology Process of 2-(4-Methoxyphenyl)benzothiophene

There total 70 articles about 2-(4-Methoxyphenyl)benzothiophene 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: 100.0%

1-bromo-4-methoxy-benzene (104-92-7) + benzo[b]thiophene-2-boronic acid (98437-23-1) → 2-(4-methoxyphenyl)benzo[b]thiophene (27884-09-9)

Guidance literature:

With tri-tert-butyl phosphine; palladium diacetate; potassium hydroxide; In tetrahydrofuran; water; at 24 ℃; for 0.0833333h; Flow reactor;

DOI:10.1002/chem.201201579

Reference yield: 99.0%

benzo[b]thiophene-2-boronic acid (98437-23-1) + para-iodoanisole (696-62-8) → 2-(4-methoxyphenyl)benzo[b]thiophene (27884-09-9)

Guidance literature:

With potassium carbonate; [PS-PEG-adppp-Pd(η³-C3H5)]Cl; In water; at 50 ℃; for 12h;

DOI:10.1021/ol0264298

Reference yield: 95.0%

1-((4-methoxyphenyl)ethynyl)-2-(methylsulfanyl)benzene (84904-70-1) → 2-(4-methoxyphenyl)benzo[b]thiophene (27884-09-9)

Guidance literature:

With trifluoroacetic acid; silver(l) oxide; at 25 ℃; for 1.5h; Schlenk technique;

DOI:10.1002/ejoc.202001465

upstream raw materials:

1-(4-methoxy-phenyl)-2-phenylsulfanyl-ethanone

2-bromo-1-benzothiophene

3-Bromothianaphthene

1-((4-methoxyphenyl)ethynyl)-2-(methylsulfanyl)benzene

Downstream raw materials:

2-(4-methoxy-phenyl)benzo[b]thiophen-3-yl 4-methoxyphenyl ketone

(2-(4-methoxyphenyl)benzo[b]thiophen-3-yl)-(2-methoxyphenyl)ketone

3-bromo-2-(4-methoxyphenyl)benzo[b]thiophene

2-(4-hydroxy-phenyl)benzo[b]thiophen-3-yl 4-[2-(1-pyrrolidinyl)ethoxy]-phenyl ketone