1-Benzo[b]thiophen-2-yl-ethanol

Base Information

• Chemical Name: 1-Benzo[b]thiophen-2-yl-ethanol
• CAS No.: 51868-95-2
• Molecular Formula: C10H10OS
• Molecular Weight: 178.255
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80409239
• Nikkaji Number: J532.083F
• Mol file: 51868-95-2.mol

Synonyms:51868-95-2;1-Benzo[b]thiophen-2-yl-ethanol;1-(Benzo[b]thiophen-2-yl)ethanol;1-(1-benzothiophen-2-yl)ethanol;1-benzothiophen-2-ylethanol;1-benzothiophen-2-yl-ethanol;1-(benzothiophen-2-yl)ethanol;SCHEMBL1444769;DTXSID80409239;BCA86895;AC-978;1-(1-benzothiophen-2-yl)ethan-1-ol;AKOS006293695;AM806193;BS-41758;CS-0038997;FT-0659049;A828822

Chemical Property of 1-Benzo[b]thiophen-2-yl-ethanol

Chemical Property:

• Vapor Pressure: 0.000157mmHg at 25°C
• Melting Point: 58-58.3 °C
• Refractive Index: 1.665
• Boiling Point: 317.8 °C at 760 mmHg
• PKA: 13.95±0.20(Predicted)
• Flash Point: 146 °C
• PSA: 48.47000
• Density: 1.236 g/cm³
• LogP: 2.95460
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 178.04523611
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C1=CC2=CC=CC=C2S1)O

Technology Process of 1-Benzo[b]thiophen-2-yl-ethanol

There total 10 articles about 1-Benzo[b]thiophen-2-yl-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: 99.0%

2-acetyl benzo[b]thiophene (22720-75-8) → 1-(benzo[b]thiophen-2-yl)ethanol (51868-95-2)

Guidance literature:

With sodium tetrahydroborate; In ethanol; water; for 1.5h; Heating;

DOI:10.1016/S0040-4020(01)00406-9

Reference yield: 88.0%

acetaldehyde (75-07-0,9002-91-9) + Benzo[b]thiophene (95-15-8,11095-43-5) → 1-(benzo[b]thiophen-2-yl)ethanol (51868-95-2)

Guidance literature:

Benzo[b]thiophene; With n-butyllithium; In tetrahydrofuran; n-heptane; at -78 ℃; for 1h;

acetaldehyde; In tetrahydrofuran; n-heptane; at -70 - -10 ℃; for 2h; Further stages.;

DOI:10.1016/j.tetasy.2008.07.004

Reference yield:

C10H11NOS → 1-(benzo[b]thiophen-2-yl)ethanol (51868-95-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 20 ℃; under 760.051 Torr;

DOI:10.1016/j.tetasy.2008.08.023

upstream raw materials:

benzothiophen-2-yllithium

acetaldehyde

2-acetyl benzo[b]thiophene

Benzo[b]thiophene

Downstream raw materials:

4-[1-(benzo[b]thien-2-yl)ethyl]-2-(methylthio)phenol

4-[1-(benzo[b]thien-2-yl)ethyl]phenol

zileuton

4-[1-(benzo[b]thien-2-yl)ethyl]-2-(methylthio)benzaldehyde