Benzo[b]thiophene, 3-methoxy-

Base Information

• Chemical Name: Benzo[b]thiophene, 3-methoxy-
• CAS No.: 10419-32-6
• Molecular Formula: C9H8OS
• Molecular Weight: 164.228
• ChEMBL ID: CHEMBL593313
• DSSTox Substance ID: DTXSID00459736
• Nikkaji Number: J1.685.890K
• Wikidata: Q82283569
• Mol file: 10419-32-6.mol

Synonyms:3-methoxybenzothiophene;Benzo[b]thiophene, 3-methoxy-;3-methoxybenzo[b]thiophene;10419-32-6;CHEMBL593313;SCHEMBL6597264;DTXSID00459736

Chemical Property of Benzo[b]thiophene, 3-methoxy-

Chemical Property:

• 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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CSC2=CC=CC=C21

Technology Process of Benzo[b]thiophene, 3-methoxy-

There total 3 articles about Benzo[b]thiophene, 3-methoxy- 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: 25.0%

methanol (67-56-1) + 4-methoxy-1-thiocoumarin (70231-48-0) → 3-methoxybenzothiophene (10419-32-6) + methyl 3-methoxybenzothiophene-2-carboxylate (19354-51-9)

Guidance literature:

Irradiation;

Reference yield: 7.0%

4-methoxy-1-thiocoumarin (70231-48-0) + acrylonitrile (107-13-1,25014-41-9) → 3-methoxybenzothiophene (10419-32-6) + methyl 3-methoxybenzothiophene-2-carboxylate (19354-51-9) + 8b-Methoxy-3-oxo-1,2a,3,8b-tetrahydro-2H-4-thia-cyclobuta[a]naphthalene-1-carbonitrile (87149-60-8)

Guidance literature:

With methanol; Irradiation;

Reference yield: 7.0%

methanol (67-56-1) + 4-methoxy-1-thiocoumarin (70231-48-0) + acrylonitrile (107-13-1,25014-41-9) → 3-methoxybenzothiophene (10419-32-6) + methyl 3-methoxybenzothiophene-2-carboxylate (19354-51-9) + 8b-Methoxy-3-oxo-1,2a,3,8b-tetrahydro-2H-4-thia-cyclobuta[a]naphthalene-1-carbonitrile (87149-60-8)

Guidance literature:

Mechanism; Irradiation; in the absence of acrylonitrile;

upstream raw materials:

methanol

4-methoxy-1-thiocoumarin

acrylonitrile

Downstream raw materials:

thioindoxyl

biphenyl

1,1'-bisnaphthalene

biphenyl-2,2'-dicarbonitrile

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