4-Methoxybenzo[b]thiophene

Base Information

• Chemical Name: 4-Methoxybenzo[b]thiophene
• CAS No.: 3781-90-6
• Molecular Formula: C9H8OS
• Molecular Weight: 164.228
• Hs Code.: 2934999090
• European Community (EC) Number: 866-607-5
• DSSTox Substance ID: DTXSID40504754
• Nikkaji Number: J651.643B
• Wikidata: Q82359484
• Mol file: 3781-90-6.mol

Synonyms:4-MBA cpd;4-methoxy-benzo(b)thiophene

Chemical Property of 4-Methoxybenzo[b]thiophene

Chemical Property:

• Boiling Point: 80 °C(Press: 0.05 Torr)
• PSA: 37.47000
• Density: 1.198±0.06 g/cm3(Predicted)
• LogP: 2.90990
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 164.02958605
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

NLT 98% ^*data from raw suppliers

4-Methoxybenzo[b]thiophene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C2C=CSC2=CC=C1

Technology Process of 4-Methoxybenzo[b]thiophene

There total 10 articles about 4-Methoxybenzo[b]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: 97.0%

4-hydroxybenzothiophene (3610-02-4) + methyl iodide (74-88-4) → 4-methoxybenzo[b]thiophene (3781-90-6)

Guidance literature:

With potassium carbonate; In acetone; 1.) reflux, 3 h, 2.) 0 deg C, 2 h; r.t., 10 h;

DOI:10.1039/a803427c

Reference yield: 82.0%

2,3-dihydro-4-methoxybenzo[b]thiophen-3-one (220418-03-1) → 4-methoxybenzo[b]thiophene (3781-90-6)

Guidance literature:

With sodium hydroxide; sodium tetrahydroborate; In methanol; Heating;

DOI:10.1055/s-2002-19752

Reference yield: 16.0%

1-[(2,2-diethoxyethyl)sulfanyl]-3-methoxybenzene (96803-85-9) → 6-methoxy-benzo[b]thiophene (90560-10-4) + 4-methoxybenzo[b]thiophene (3781-90-6)

Guidance literature:

With polyphosphoric acid; In toluene; for 3h; Reflux; Inert atmosphere;

DOI:10.1002/hlca.201500285

upstream raw materials:

4-hydroxybenzothiophene

methyl iodide

1-<(2,2-dimethoxyethyl)thio>-3-methoxybenzene

1-[(2,2-diethoxyethyl)sulfanyl]-3-methoxybenzene

Downstream raw materials:

benzothiophene-4,7-quinone

4,7-dimethoxybenzothiophene

4-Methoxy-2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]benzo[b]thiophene

2-(tert-Butyl-dimethyl-silanyl)-6-(2-hydroxy-2-phenyl-ethyl)-4-methoxy-benzo[b]thiophene-5-carboxylic acid diethylamide

Refernces

• 1、 -. "2-ARYLBENZOTHIOPHENE DERIVATIVES OR PHARCEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF, AND PHARCEUTICAL COMPOSITION FOR THE DIAGNOSIS OR TREATMENT OF DEGENERATIVE BRAIN DISEASE CONTAINING THE SAME AS ACTIVE INGREDIENT". Page/Page column 17. . Retrieved 2010/11/03.
• 2、 -. "FARNESOID X RECEPTOR AGONISTS". Page/Page column 93-94. . Retrieved 2009/01/23.