Thiophen-3-ol

Base Information

• Chemical Name: Thiophen-3-ol
• CAS No.: 17236-59-8
• Molecular Formula: C4H4OS
• Molecular Weight: 100.13900
• Hs Code.: 2934999090
• European Community (EC) Number: 687-367-6
• DSSTox Substance ID: DTXSID90449924
• Nikkaji Number: J656.658H
• Wikidata: Q82269467
• Mol file: 17236-59-8.mol

Synonyms:Thiophen-3-ol;17236-59-8;3-Hydroxythiophene;Thiophene-3-ol;4-hydroxythiophene;SCHEMBL133671;DTXSID90449924;HERSKCAGZCXYMC-UHFFFAOYSA-N;MFCD12026375;AKOS006318709;BS-52955;CS-0198984;E73932;EN300-102304

Chemical Property of Thiophen-3-ol

Chemical Property:

• Boiling Point: 38-39 °C(Press: 0.01 Torr)
• PKA: 9.68±0.10(Predicted)
• PSA: 48.47000
• Density: 1.294±0.06 g/cm3(Predicted)
• LogP: 1.45370
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 99.99828592
• Heavy Atom Count: 6
• Complexity: 46.8

Purity/Quality:

98%min ^*data from raw suppliers

Thiophen-3-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CSC=C1O

Technology Process of Thiophen-3-ol

There total 6 articles about Thiophen-3-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: 90.0%

Thien-3-ylboronic acid (6165-69-1) → 3-S-hydroxythiophene (17236-59-8)

Guidance literature:

With copper ferrite; oxygen; In water; at 27 ℃; for 0.666667h;

DOI:10.1080/00958972.2020.1802437

Reference yield: 80.0%

isopropylidene <1-(methylthio)ethylidene>malonate (123773-67-1) → 3-S-hydroxythiophene (17236-59-8)

Guidance literature:

at 600 ℃; for 2h; under 0.001 Torr;

Reference yield:

→ 3-S-hydroxythiophene (17236-59-8)

Guidance literature:

With diethyl ether; isopropylmagnesium bromide; oxygen;

DOI:10.1021/ja01168a049

upstream raw materials:

3-hydroxythiophene-2-carboxylic acid

thiophen-3(2H)-one

3-<(Trimethylsilyl)oxy>thiophene

isopropylidene <1-(methylthio)ethylidene>malonate

Downstream raw materials:

thiophen-3(2H)-one

3-(chloromethyl)thiophene

2-[3-(3-Benzyloxycarbonylaminopropyl)-2-oxo-piperazin-1-yl]-3-naphthalen-2-yl-propionic acid methyl ester

3,5-dinitro-benzoic acid-[3]thienyl ester

Refernces

• 1、 Pozo, Iago,Cobas, Agustín,Pe?a, Diego,Guitián, Enrique,Pérez, Dolores. "Toward 2-Thiophyne: Ketocarbene versus Hetaryne Intermediates from 2-(Trimethylsilyl)thiophen-3-yl Triflate". supporting information. p. 7376 - 7380. Retrieved 2021/10/01.
• 2、 Mitsudo, Koichi,Kurimoto, Yuji,Mandai, Hiroki,Suga, Seiji. "Synthesis of 3-Benzo[b]thienyl 3-Thienyl Ether via an Addition-Elimination Reaction and Its Transformation to an Oxygen-Fused Dithiophene Skeleton: Synthesis and Properties of Benzodithienofuran and Its π-Extended Derivatives". supporting information. p. 2821 - 2824. Retrieved 2017/06/07.