Benzo[b]thiophene-2-ethanol

Base Information

• Chemical Name: Benzo[b]thiophene-2-ethanol
• CAS No.: 30962-69-7
• Molecular Formula: C10H10OS
• Molecular Weight: 178.255
• Hs Code.: 2934999090
• NSC Number: 132411
• DSSTox Substance ID: DTXSID10299741
• Nikkaji Number: J1.591.376B
• Wikidata: Q82042333
• Mol file: 30962-69-7.mol

Synonyms:Benzo[b]thiophene-2-ethanol;30962-69-7;2-(Benzo[b]thiophen-2-yl)ethanol;2-BENZO[B]THIOPHEN-2-YL-ETHANOL;2-(1-benzothiophen-2-yl)ethanol;2-Benzo[b]thiopheneethanol;NSC132411;2-(1-benzothiophen-2-yl)ethan-1-ol;2-Benzo[b]-thiopheneethanol;SCHEMBL661546;2-Benzo[b]thiophen-2-ylmethanol;DTXSID10299741;AMFBMJOMAZEXAO-UHFFFAOYSA-N;MFCD01850958;AKOS006277966;NSC-132411;FT-0693071;C90449;EN300-103689;A820668

Chemical Property of Benzo[b]thiophene-2-ethanol

Chemical Property:

• Melting Point: 80.5 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
• Boiling Point: 327.3 °C at 760 mmHg
• PKA: 14.68±0.10(Predicted)
• Flash Point: 151.8 °C
• PSA: 48.47000
• Density: 1.243 g/cm³
• LogP: 2.43610
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 178.04523611
• Heavy Atom Count: 12
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

2-Benzo[b]thiophen-2-yl-ethanol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(S2)CCO

Technology Process of Benzo[b]thiophene-2-ethanol

There total 7 articles about Benzo[b]thiophene-2-ethanol 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: 79.0%

ethyleneglycol sulfate (1072-53-3) + Benzo[b]thiophene (95-15-8,11095-43-5) → 2-(β-Hydroxyethyl)-benzothiophene (30962-69-7)

Guidance literature:

Benzo[b]thiophene; In tetrahydrofuran; hexanes; at -50 - -40 ℃; for 0.75h;

ethyleneglycol sulfate; In tetrahydrofuran; hexanes; at -40 - 20 ℃;

With acetyl chloride; In methanol; at 20 ℃; for 4.25h;

Reference yield: 60.0%

oxirane (75-21-8,99932-75-9) + Benzo[b]thiophene (95-15-8,11095-43-5) → 2-(β-Hydroxyethyl)-benzothiophene (30962-69-7)

Guidance literature:

Benzo[b]thiophene; With n-butyllithium; In tetrahydrofuran; diethyl ether; hexane; at -78 ℃; for 2h;

oxirane; In tetrahydrofuran; diethyl ether; hexane; at -78 - 20 ℃; for 17.25h;

Reference yield:

oxirane (75-21-8,99932-75-9) → 2-(β-Hydroxyethyl)-benzothiophene (30962-69-7)

Guidance literature:

With diethyl ether; unter Stickstoff;

DOI:10.1021/ja01099a054

upstream raw materials:

oxirane

Benzo[b]thiophene

benzothiophen-2-yllithium

benzo[b]thiophene-2-carboxylic acid

Downstream raw materials:

2-(2-chloro-ethyl)-benzo[b]thiophene

2-(1-benzothien-2-yl)ethyl 4-methylbenzenesulfonate

2-(benzo[b]thiophen-2-yl)ethanamine

1-phenyl-3,4-dihydro-benzo[4,5]thieno[3,2-c]pyridine

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