5-Methoxy-1-benzothiophene

Base Information

• Chemical Name: 5-Methoxy-1-benzothiophene
• CAS No.: 20532-30-3
• Molecular Formula: C9H8OS
• Molecular Weight: 164.22192
• Hs Code.: 2934999090
• European Community (EC) Number: 837-828-4
• DSSTox Substance ID: DTXSID00394496
• Nikkaji Number: J1.616.219A
• Wikidata: Q82193920
• Mol file: 20532-30-3.mol

Synonyms:5-methoxybenzo[b]thiophene;5-methoxy-1-benzothiophene;20532-30-3;Benzo[b]thiophene, 5-methoxy-;5-methoxy-benzo[b]thiophene;5-methoxybenzothiophene;5-methoxy benzo[b]thiophene;3-O-METHYLPRATENSEIN;SCHEMBL154909;5-(methyloxy)-1-benzothiophene;DTXSID00394496;YUCSRVKBVKJMNH-UHFFFAOYSA-N;AMY37334;MFCD01860057;AKOS006278241;CS-W000070;AS-59706;FT-0722071;EN300-101215;A814658;J-517659

Chemical Property of 5-Methoxy-1-benzothiophene

Chemical Property:

• Vapor Pressure: 0.012mmHg at 25°C
• Melting Point: 42 °C
• Refractive Index: 1.637
• Boiling Point: 268.874 °C at 760 mmHg
• Flash Point: 116.411 °C
• PSA: 37.47000
• Density: 1.198 g/cm³
• LogP: 2.90990
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.1
• 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:

99%, ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)SC=C2

Technology Process of 5-Methoxy-1-benzothiophene

There total 34 articles about 5-Methoxy-1-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: 96.0%

methanol (67-56-1) + 5-chlorobenzothiophene (20532-33-6) → 5-methoxybenzothiophene (20532-30-3)

Guidance literature:

With t-BuBrettPhos; [(2-di-tert-butylphosphino-3,6-dimethoxy-2’,4’,6’-triisopropyl-1,1’-biphenyl)-2-(2’-amino-1,1‘-biphenyl)]palladium(II) methanesulfonate; sodium t-butanolate; In 1,4-dioxane; at 80 ℃; for 20h; Sealed tube; Inert atmosphere;

DOI:10.1021/ol401796v

Reference yield: 88.0%

5-Methoxy-2,3-dihydrobenzothiophene (183997-18-4) → 5-methoxybenzothiophene (20532-30-3)

Guidance literature:

With N-chloro-succinimide;

DOI:10.1055/s-1999-3462

Reference yield: 85.0%

5-bromobenzo[b]thiophene (4923-87-9) + B-methoxy-9-BBN → 5-methoxybenzothiophene (20532-30-3)

Guidance literature:

With N¹-(4-hydroxy-2,6-dimethylphenyl)-N²-(4-hydroxy-3,5-dimethylphenyl)oxalamide; caesium carbonate; In 1-methyl-pyrrolidin-2-one; at 80 ℃; for 12h; Inert atmosphere;

upstream raw materials:

benzo[b]thiophen-5-ol

dimethyl sulfate

(4-methoxy-phenylsulfanyl)-acetaldehyde dimethylacetal

methanol

Downstream raw materials:

5-methoxy-3-phenyl-2,3-dihydrobenzothiophen

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

benzo[b]thiophen-5-ol

5-methoxy-2-methylbenzo[b]thiophene

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