2-Thiopheneethanol

Base Information

• Chemical Name: 2-Thiopheneethanol
• CAS No.: 5402-55-1
• Molecular Formula: C6H8OS
• Molecular Weight: 128.195
• Hs Code.: 29349990
• European Community (EC) Number: 226-452-0
• NSC Number: 5136
• UNII: 332ZDU4HDC
• DSSTox Substance ID: DTXSID2063840
• Nikkaji Number: J213E
• Wikidata: Q72508860
• Mol file: 5402-55-1.mol

Synonyms:2-Thiopheneethanol;5402-55-1;2-(2-Thienyl)ethanol;Thiophene-2-ethanol;2-(thiophen-2-yl)ethanol;2-thiophen-2-ylethanol;2-(2-Hydroxyethyl)thiophene;2-THIOPHENETHANOL;2-(THIOPHEN-2-YL)ETHAN-1-OL;Thiophen-2-ethanol;Ethanol, 2-(2-thienyl)-;MFCD00005462;NSC 5136;NSC-5136;EINECS 226-452-0;EC 226-452-0;2-(2-Thienyl)-ethanol;Thiopheneethanol;thiophene ethanol;NSC5136;2-thiophene-ethanol;2-thiophen-2-yl-ethanol;2-Thiopheneethanol, 98%;332ZDU4HDC;2-(thiophen-2-yl) ethanol;2-(2-Hydroxyethyl)thiofuran;BIDD:GT0601;SCHEMBL150608;DTXSID2063840;2-(thiophen-2-yl)ethyl alcohol;VMJOFTHFJMLIKL-UHFFFAOYSA-;CHEBI:195139;AKOS003382008;AC-6274;AM82007;CS-W020421;PB32074;PS-5774;SY001832;FT-0608522;T1021;EN300-55025;P10012;2-Thiopheneethanol, technical, >=95.0% (GC);A829916;Q-102734;Q-200140;F0001-1418;Z397587354

Chemical Property of 2-Thiopheneethanol

Chemical Property:

• Appearance/Colour: clear colorless to slightly brown liquid
• Vapor Pressure: 0.0564mmHg at 25°C
• Refractive Index: n20/D 1.551(lit.)
• Boiling Point: 223 °C at 760 mmHg
• PKA: 14.77±0.10(Predicted)
• Flash Point: 101.1 °C
• PSA: 48.47000
• Density: 1.173 g/cm³
• LogP: 1.28290
• Storage Temp.: Store below +30°C.
• Water Solubility.: slightly soluble
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 128.02958605
• Heavy Atom Count: 8
• Complexity: 65.5

Purity/Quality:

99% , ^*data from raw suppliers

2-Thiopheneethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 23-24/25-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC(=C1)CCO
• Uses: 2-Thiopheneethanol is a thiophene derivative used in the preparation of oligothiophene isothiocyanates as fluorescent markers for biopolymers. 2-Thiopheneethanol is also used in the preparation of oth er biologically active compounds such as the analgesic Sulfentanyl and the antithrombotic Clopidogrel Hydrogen Sulfate (C587250). 2-Thiopheneethanol, is used as the antithrombotics thiophene chlorine match piperidine intermediates. It is also used as a ticlopidine Intermediate.

Technology Process of 2-Thiopheneethanol

There total 23 articles about 2-Thiopheneethanol 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: 100.0%

ethyl thiophen-2-ylacetate (57382-97-5) → 2-thiophenethanol (5402-55-1)

Guidance literature:

With phenylsilane; cobalt(II) diacetate tetrahydrate; sodium triethylborohydride; In 1,2-dimethoxyethane; toluene; at 25 ℃; for 15h; Reagent/catalyst; Solvent; Temperature; Inert atmosphere; Schlenk technique;

DOI:10.1039/c8cy00728d

Reference yield: 98.0%

methyl 2-thiopheneacetate (19432-68-9) → 2-thiophenethanol (5402-55-1)

Guidance literature:

methyl 2-thiopheneacetate; With diethylzinc; lithium chloride; In tetrahydrofuran; hexane; at 20 ℃; for 6h; Inert atmosphere;

With sodium hydroxide; In tetrahydrofuran; hexane; water; at 20 ℃; for 8h; chemoselective reaction; Inert atmosphere;

DOI:10.1002/chem.201406176

Reference yield: 97.0%

Thiophene-2-acetic acid (1918-77-0) → 2-thiophenethanol (5402-55-1)

Guidance literature:

With dimethylsulfide borane complex; In tetrahydrofuran; at 0 - 20 ℃; for 6h;

DOI:10.1021/jm970497w

upstream raw materials:

oxirane

thiophene

2-thienyl chloride

2-thienylmagnesium iodide

Downstream raw materials:

phenyl-carbamic acid-(2-[2]thienyl-ethyl ester)

acetic acid-(2-[2]thienyl-ethyl ester)

2-vinylthiophene

2-(2-Bromoethyl)thiophene

Refernces

• 1、 Tan, Tong-De,Zhu, Xin-Qi,Bu, Hao-Zhen,Deng, Guocheng,Chen, Yang-Bo,Liu, Rai-Shung,Ye, Long-Wu. "Copper-Catalyzed Cascade Cyclization of Indolyl Homopropargyl Amides: Stereospecific Construction of Bridged Aza-[n.2.1] Skeletons". supporting information. p. 9632 - 9639. Retrieved 2019/06/27.
• 2、 Rysak, Vincent,Descamps-Mandine, Armel,Simon, Pardis,Blanchard, Florent,Burylo, Laurence,Trentesaux, Martine,Vandewalle, Maxence,Collière, Vincent,Agbossou-Niedercorn, Francine,Michon, Christophe. "Selective ligand-free cobalt-catalysed reduction of esters to aldehydes or alcohols". . p. 3504 - 3512. Retrieved 2018/07/29.