Benzo[b]thiophene-5-ol, 2,3-dihydro-

Base Information

• Chemical Name: Benzo[b]thiophene-5-ol, 2,3-dihydro-
• CAS No.: 129478-13-3
• Molecular Formula: C8H8OS
• Molecular Weight: 152.217
• DSSTox Substance ID: DTXSID60463637
• Nikkaji Number: J1.536.168I
• Wikidata: Q82288618

Synonyms:129478-13-3;2,3-dihydrobenzo[b]thiophen-5-ol;Benzo[b]thiophene-5-ol, 2,3-dihydro-;2,3-dihydro-1-benzothiophen-5-ol;5-hydroxy-2,3-dihydrobenzothiophene;SCHEMBL5422777;DTXSID60463637;ZYMXZSZJIUOWDL-UHFFFAOYSA-N;2,3-dihydro-benzo[b]thiophen-5-ol;FT-0708824

Chemical Property of Benzo[b]thiophene-5-ol, 2,3-dihydro-

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 152.02958605
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CSC2=C1C=C(C=C2)O

Technology Process of Benzo[b]thiophene-5-ol, 2,3-dihydro-

There total 1 articles about Benzo[b]thiophene-5-ol, 2,3-dihydro- 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:

benzo[b]thiophen-5-ol (19301-35-0) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 5-hydroxy-2,3-dihydrobenzo[b]thiophene (129478-13-3) + 2-Phenyl-2,3-dihydro-benzo[b]thiophen-5-ol (82194-85-2) + 2-Phenyl-2,3-dihydro-benzo[b]thiophen-7-ol (82194-88-5) + 4,5-dihydro-2,4-diphenylbenzothiophen-7(6H)-one (82194-75-0)

Guidance literature:

With aluminium trichloride; for 0.5h; Further byproducts given; Ambient temperature;

Reference yield: 90.63%

4-(bromomethyl)benzaldehyde (51359-78-5) + 5-hydroxy-2,3-dihydrobenzo[b]thiophene (129478-13-3) → 4-((2,3-dihydrobenzo[b]thiophene-5-oxy)methyl)benzaldehyde

Guidance literature:

5-hydroxy-2,3-dihydrobenzo[b]thiophene; With caesium carbonate; In ethanol; at 20 ℃; for 1h;

4-(bromomethyl)benzaldehyde; With potassium iodide; In ethanol; at 80 ℃; for 4h;

Reference yield: 89.58%

3-(bromomethyl)benzaldehyde (82072-23-9) + 5-hydroxy-2,3-dihydrobenzo[b]thiophene (129478-13-3) → 3-((2,3-dihydrobenzo[b]thiophene-5-oxy)methyl)benzaldehyde

Guidance literature:

5-hydroxy-2,3-dihydrobenzo[b]thiophene; With caesium carbonate; In ethanol; at 20 ℃; for 1h;

3-(bromomethyl)benzaldehyde; With potassium iodide; In ethanol; at 80 ℃; for 4h;

upstream raw materials:

benzo[b]thiophen-5-ol

benzene

Downstream raw materials:

5-Bromo-2-(2,3-dihydro-1-benzothien-5-yloxy)benzaldehyde

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