2-Thiophenemethanol

Base Information

• Chemical Name: 2-Thiophenemethanol
• CAS No.: 636-72-6
• Molecular Formula: C5H6OS
• Molecular Weight: 114.168
• Hs Code.: 29349990
• European Community (EC) Number: 211-264-3
• NSC Number: 89695
• UNII: 279633QQ3D
• DSSTox Substance ID: DTXSID50212979
• Nikkaji Number: J82E
• Wikidata: Q27254185
• Metabolomics Workbench ID: 45840
• Mol file: 636-72-6.mol

Synonyms:2-Thiophenemethanol;636-72-6;thiophen-2-ylmethanol;2-Thienylmethanol;Thiophene-2-methanol;2-(Hydroxymethyl)thiophene;2-Hydroxymethylthiophene;2-Thenyl alcohol;Thenyl alcohol;(thiophen-2-yl)methanol;2-Thienyl carbinol;2-Thiophenecarbinol;2-thiophene methanol;MFCD00005454;UNII-279633QQ3D;EINECS 211-264-3;NSC 89695;NSC-89695;279633QQ3D;Thiophen-2-Yl-Methanol;thienylmethanol;thiophenemethanol;thiophene methanol;2-thienyl methanol;2thiophene methanol;NSC89695;thiophen-2-methanol;tiophene-2-methanol;2-thiophene carbinol;2-Thienylmethanol #;2-THIENYLCARBINOL;2-hydroxymethyl thiophene;2-hydroxymethyl-thiophene;2-(Hydroxymethyl)thiophen;2-hydroxy methyl thiophene;2-Thiophenemethanol, 98%;2-(Hydroxymethyl)-Thiophene;SCHEMBL93009;2-THIENYLMETHYL ALCOHOL;Thiophene, 2-(hydroxymethyl)-;FEMA NO. 4642;DTXSID50212979;AKOS000120452;PB10001;PS-5570;SDCCGMLS-0065972.P001;AM804174;SY036796;CS-0022380;FT-0613450;T1112;EN300-20529;P10010;(2S)-(+)-2-METHYLGLYCIDYL4-NITROBENZOATE;W-104889;Q27254185;F0001-1726;Z104478586;36-72-6

Chemical Property of 2-Thiophenemethanol

Chemical Property:

• Appearance/Colour: clear colourless to light yellow liquid
• Vapor Pressure: 0.139mmHg at 25°C
• Melting Point: 0 °C
• Refractive Index: n20/D 1.564(lit.)
• Boiling Point: 207 °C at 760 mmHg
• PKA: 13.89±0.10(Predicted)
• Flash Point: 76.7 °C
• PSA: 48.47000
• Density: 1.231 g/cm³
• LogP: 1.24040
• Storage Temp.: Store at 0°C
• Sensitive.: Air Sensitive
• Water Solubility.: 40 g/L (20 ºC)
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 114.01393598
• Heavy Atom Count: 7
• Complexity: 56

Purity/Quality:

99% ^*data from raw suppliers

2-?Thiophenemethanol ^*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

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Thiophenes
• Canonical SMILES: C1=CSC(=C1)CO
• Uses: No commercially developed applications. 2-?Thiophenemethanol is a heterocyclic building block used in pharmaceutical and organic synthesis. It is a component of the synthesis of styrylheterocycle analogs of reservatrol which act as apoptosis-inducing agents. Also used in the preparation of diverse 2-aminothiophenes displaying biologically active antiproliferative activity.

Technology Process of 2-Thiophenemethanol

There total 51 articles about 2-Thiophenemethanol 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: 98.0%

thiophene-2-carbaldehyde (98-03-3) → 2-thiophenylcarboxylic acid (527-72-0) + 2-thiophenemethanol (636-72-6)

Guidance literature:

thiophene-2-carbaldehyde; With potassium hydroxide; for 0.0833333h; Milling; Inert atmosphere; Sealed tube; Green chemistry;

With hydrogenchloride; In water; for 0.0833333h; Green chemistry;

DOI:10.1039/c8gc02481b

Reference yield: 97.0%

(thiophen-2-yl)methyl acetate (13679-77-1) → 2-thiophenemethanol (636-72-6)

Guidance literature:

With zirconocene dichloride; diisobutylaluminium hydride; In tetrahydrofuran; at -20 ℃; regioselective reaction; Inert atmosphere;

DOI:10.1021/acs.orglett.8b03947

Reference yield: 96.0%

4,4,5,5-tetramethyl-2-(thiophen-2-ylmethoxy)-1,3,2-dioxaborolane → 2-thiophenemethanol (636-72-6)

Guidance literature:

With silica gel; In hexane; ethyl acetate;

DOI:10.1002/anie.201607579

upstream raw materials:

thiophene-2-carbaldehyde

formaldehyd

2-Chloromethylthiophene

2-thienylmagnesium iodide

Downstream raw materials:

2-thienylmethyltriphenylphosphonium bromide

3,3-Diphenyl-3H-benzo[f]chromene-8-carboxylic acid thiophen-2-ylmethyl ester

2-Methylthiophene

Thiophene-2-acetic acid

Refernces

• 1、 Kaicharla, Trinadh,Ngoc, Trung Tran,Teichert, Johannes F.,Tzaras, Dimitrios-Ioannis,Zimmermann, Birte M.. "A Bifunctional Copper Catalyst Enables Ester Reduction with H2: Expanding the Reactivity Space of Nucleophilic Copper Hydrides". supporting information. p. 16865 - 16873. Retrieved 2021/10/20.
• 2、 -. "MUSCARINIC AGONISTS AS NON-STEROIDAL AND NON-OPIOID ANALGESICS AND METHODS OF USE THEREOF". Paragraph 0060; 0073; 0076; 00106. . Retrieved 2020/09/19.