(2-Thiophen-2-ylphenyl)methanol

Base Information

• Chemical Name: (2-Thiophen-2-ylphenyl)methanol
• CAS No.: 773872-97-2
• Molecular Formula: C11H10OS
• Molecular Weight: 190.26
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50383779
• Wikidata: Q27460163
• Mol file: 773872-97-2.mol

Synonyms:773872-97-2;(2-Thien-2-ylphenyl)methanol;(2-thiophen-2-ylphenyl)methanol;(2-(Thiophen-2-yl)phenyl)methanol;[2-(thiophen-2-yl)phenyl]methanol;[2-(Thien-2-yl)phenyl]methanol;SCHEMBL477614;DTXSID50383779;MFCD06203081;AKOS006343252;MS-22291;(2-thien-2-ylphenyl)methanol, AldrichCPR;CS-0331088;FT-0690362;J-501061;Q27460163;F69

Chemical Property of (2-Thiophen-2-ylphenyl)methanol

Chemical Property:

• Vapor Pressure: 1.48E-05mmHg at 25°C
• Refractive Index: 1.622
• Boiling Point: 351.8 °C at 760 mmHg
• Flash Point: 166.6 °C
• PSA: 48.47000
• Density: 1.204 g/cm³
• LogP: 2.90740
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 190.04523611
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

98%min ^*data from raw suppliers

[2-(Thien-2-yl)phenyl]methanol ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CO)C2=CC=CS2

Technology Process of (2-Thiophen-2-ylphenyl)methanol

There total 2 articles about (2-Thiophen-2-ylphenyl)methanol 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: 75.0%

o-(2-thienyl)benzoic acid methyl ester (17595-84-5) → [2-(2-thienyl)phenyl]methanol (773872-97-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 0.666667h;

DOI:10.1002/poc.1754

Reference yield:

o-iodo-methyl-benzoic acid (610-97-9) → [2-(2-thienyl)phenyl]methanol (773872-97-2)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate / ethanol; benzene / Inert atmosphere; Reflux

2: lithium aluminium tetrahydride / tetrahydrofuran / 0.67 h / 20 °C

With lithium aluminium tetrahydride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In tetrahydrofuran; ethanol; benzene; 1: Suzuki coupling;

DOI:10.1002/poc.1754

Reference yield:

[2-(2-thienyl)phenyl]methanol (773872-97-2) → 4H-Indeno<1,2-b>thiophen-4-one (5706-08-1)

Guidance literature:

Multi-step reaction with 4 steps

1: polyphosphoric acid / dichloromethane / 0.07 h / 120 °C

2: N-Bromosuccinimide / tetrachloromethane / 2.5 h / Reflux; Irradiation

3: water; silver nitrate / acetone / 0.17 h

4: Inert atmosphere; UV-irradiation

With N-Bromosuccinimide; water; silver nitrate; In tetrachloromethane; dichloromethane; acetone;

DOI:10.1002/poc.1754

upstream raw materials:

o-(2-thienyl)benzoic acid methyl ester

o-iodo-methyl-benzoic acid

Downstream raw materials:

4H-Indeno<1,2-b>thiophen-4-one

Refernces