2-(1-Benzothiophen-5-yl)ethan-1-ol

Base Information

• Chemical Name: 2-(1-Benzothiophen-5-yl)ethan-1-ol
• CAS No.: 96803-30-4
• Molecular Formula: C10H10OS
• Molecular Weight: 178.255
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80475151
• Nikkaji Number: J2.943.504I
• Wikidata: Q72484054
• Mol file: 96803-30-4.mol

Synonyms:96803-30-4;5-(2-Hydroxyethyl)benzo(b)thiophene;2-(1-Benzothiophen-5-yl)ethan-1-ol;2-(1-benzothiophen-5-yl)ethanol;Benzo[b]thiophene-5-ethanol;2-(benzo[b]thiophen-5-yl)ethanol;5-(2-HYDROXYETHYL)BENZO[B]THIOPHENE;SCHEMBL48139;5-(2-Hydroxyethyl)benzothiophene;DTXSID80475151;DSZAQLDIEKUEMB-UHFFFAOYSA-N;2-(1-Benzothiophene-5-yl)ethanol;2-benzo[b]thiophen-5-yl-1-ethanol;MFCD08062283;2-(1-benzothiophen-5-yl)-1-ethanol;AKOS000280988;SB14692;AS-62390;CS-0056514;FT-0719515;H11183;EN300-1626046;Q-102033

Chemical Property of 2-(1-Benzothiophen-5-yl)ethan-1-ol

Chemical Property:

• Melting Point: 56-57 °C(Solv: ethyl ether (60-29-7); hexane (110-54-3))
• Boiling Point: 327.322 °C at 760 mmHg
• PKA: 14.84±0.10(Predicted)
• Flash Point: 151.759 °C
• PSA: 48.47000
• Density: 1.243 g/cm³
• LogP: 2.43610
• XLogP3: 2.5
• 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-5-yl)ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CS2)C=C1CCO
• Uses: 2-(Benzo[b]thiophen-5-yl)ethanol is derived from 5-Bromobenzo[b]thiophene (B680425), which is used as a reactant in the preparation of 4-aminoquinolines and tetraoxanes displaying antimalarial activity.

Technology Process of 2-(1-Benzothiophen-5-yl)ethan-1-ol

There total 9 articles about 2-(1-Benzothiophen-5-yl)ethan-1-ol 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: 84.0%

1-(fur-3-yl)-2-(thiophen-2-yl)ethene → 5-methylthianaphthene (14315-14-1) + 5-(2-hydroxyethyl)benzo[b]thiophene (96803-30-4)

Guidance literature:

With lithium borohydride; potassium hydroxide; In methanol; water; at 40 ℃; for 3h; Overall yield = 89 %; Sealed tube; Inert atmosphere; Irradiation;

DOI:10.1016/j.tet.2014.01.035

Reference yield:

benzothiophene-5-acetic acid ethyl ester (98820-66-7) → 5-(2-hydroxyethyl)benzo[b]thiophene (96803-30-4)

Guidance literature:

With potassium borohydride; lithium chloride; In tetrahydrofuran; at 67 - 71 ℃; for 5.5h; Temperature; Solvent; Reagent/catalyst;

Reference yield:

propyl 2-(1-benzothiophen-5-yl)acetate → 5-(2-hydroxyethyl)benzo[b]thiophene (96803-30-4)

Guidance literature:

With potassium borohydride; lithium chloride; In tetrahydrofuran; toluene; at 67 - 75 ℃; for 5.66667h;

upstream raw materials:

(1-benzothiophen-5-yl)acetic acid

5-bromomethyl-benzo[b]thiophene

(1-benzothiophen-5-yl)acetonitrile

oxirane

Downstream raw materials:

3-(2-(1-benzothiophen-5-yl)ethoxy)propionic acid

1-(3-(2-(1-benzothiophen-5-yl)ethoxy)propionyl)azetidin-3-ol