(5-Trifluoromethyl-thiophen-3-yl)-methanol

Base Information

• Chemical Name: (5-Trifluoromethyl-thiophen-3-yl)-methanol
• CAS No.: 1447913-56-5
• Molecular Formula: C₆H₅F₃OS
• Molecular Weight: 182.166
• European Community (EC) Number: 963-668-0
• DSSTox Substance ID: DTXSID401278634
• Mol file: 1447913-56-5.mol

Synonyms:1447913-56-5;(5-Trifluoromethyl-thiophen-3-yl)-methanol;[5-(trifluoromethyl)thiophen-3-yl]methanol;(5-(Trifluoromethyl)thiophen-3-yl)methanol;5-(Trifluoromethyl)-3-thiophenemethanol;SCHEMBL8550657;DTXSID401278634;XHC91356;MFCD28362361;AKOS027252114;(5-(Trifluoromethyl)-3-thienyl)methanol;AS-40195;DB-185452;CS-0035493;EN300-317390;A934356

Chemical Property of (5-Trifluoromethyl-thiophen-3-yl)-methanol

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 182.00132044
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

[5-(trifluoromethyl)thiophen-3-yl]methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(SC=C1CO)C(F)(F)F

Technology Process of (5-Trifluoromethyl-thiophen-3-yl)-methanol

There total 3 articles about (5-Trifluoromethyl-thiophen-3-yl)-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: 99.0%

methyl 5-(trifluoromethyl)thiophene-3-carboxylate (1447913-55-4) → [5-(trifluoromethyl)thiophen-3-yl]methanol (1447913-56-5)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; methanol; at 60 ℃; for 3h;

DOI:10.1016/j.bmc.2016.04.013

Reference yield:

methyl 5-iodo-3-thiophenecarboxylate → [5-(trifluoromethyl)thiophen-3-yl]methanol (1447913-56-5)

Guidance literature:

Multi-step reaction with 2 steps

1: copper(l) iodide; N,N,N,N,N,N-hexamethylphosphoric triamide / N,N-dimethyl-formamide / 20 - 80 °C / Inert atmosphere

2: sodium tetrahydroborate / tetrahydrofuran; methanol / 20 - 60 °C

With N,N,N,N,N,N-hexamethylphosphoric triamide; sodium tetrahydroborate; copper(l) iodide; In tetrahydrofuran; methanol; N,N-dimethyl-formamide;

Reference yield:

5-iodothiophene-3-carboxylic acid (18895-01-7) → [5-(trifluoromethyl)thiophen-3-yl]methanol (1447913-56-5)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate / N,N-dimethyl-formamide / 24 h / 20 °C

2: copper(l) iodide; N,N,N,N,N,N-hexamethylphosphoric triamide / N,N-dimethyl-formamide / 20 - 80 °C / Inert atmosphere

3: sodium tetrahydroborate / tetrahydrofuran; methanol / 20 - 60 °C

With N,N,N,N,N,N-hexamethylphosphoric triamide; sodium tetrahydroborate; copper(l) iodide; potassium carbonate; In tetrahydrofuran; methanol; N,N-dimethyl-formamide;

upstream raw materials:

5-iodothiophene-3-carboxylic acid

methyl 5-(trifluoromethyl)thiophene-3-carboxylate

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