2,2,2-Trifluoro-1-(pyridin-3-yl)ethanol

Base Information

• Chemical Name: 2,2,2-Trifluoro-1-(pyridin-3-yl)ethanol
• CAS No.: 138624-99-4
• Molecular Formula: C7H6F3NO
• Molecular Weight: 177.12400
• Hs Code.: 2933399990
• DSSTox Substance ID: DTXSID00459014
• Nikkaji Number: J1.316.451G
• Mol file: 138624-99-4.mol

Synonyms:2,2,2-Trifluoro-1-(pyridin-3-yl)ethanol;138624-99-4;2,2,2-trifluoro-1-pyridin-3-ylethanol;2,2,2-trifluoro-1-(3-pyridyl)ethanol;2,2,2-trifluoro-1-(pyridin-3-yl)ethan-1-ol;SCHEMBL2422771;DTXSID00459014;BZB50763;BZB50766;MFCD16067922;RB1149;AKOS008148938;SB54142;AS-54408;alpha-(Trifluoromethyl)pyridine-3-methanol;CS-0208465;EN300-72242;10.14272/LHXKPHQPUHHFQW-UHFFFAOYSA-N;3-(2,2,2-trifluoro-1-hydroxyethyl) pyridine;A886203;doi:10.14272/LHXKPHQPUHHFQW-UHFFFAOYSA-N;Z838950560

Chemical Property of 2,2,2-Trifluoro-1-(pyridin-3-yl)ethanol

Chemical Property:

• PSA: 33.12000
• LogP: 1.67730
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 177.04014830
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

97% ^*data from raw suppliers

2,2,2-Trifluoro-1-(pyridin-3-yl)ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C(C(F)(F)F)O

Technology Process of 2,2,2-Trifluoro-1-(pyridin-3-yl)ethanol

There total 6 articles about 2,2,2-Trifluoro-1-(pyridin-3-yl)ethanol 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%

→ 2,2,2-trifluoro-1-(pyridin-3-yl)ethan-1-ol (138624-99-4)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; for 1h;

Reference yield: 83.0%

3-pyridinecarboxaldehyde (500-22-1) + (trifluoromethyl)trimethylsilane (81290-20-2) → 2,2,2-trifluoro-1-(pyridin-3-yl)ethan-1-ol (138624-99-4)

Guidance literature:

3-pyridinecarboxaldehyde; (trifluoromethyl)trimethylsilane; With cesium fluoride; In tetrahydrofuran; at 0 - 20 ℃;

With tetrabutyl ammonium fluoride; In tetrahydrofuran; for 5h;

DOI:10.1002/ejoc.201403013

Reference yield: 41.0%

3-iodopyridine (1120-90-7) + TurboGrignard (807329-97-1) + 2,2,2-trifluoroethyl trifluoroacetate (407-38-5) → 2,2,2-trifluoro-1-methoxy-1-(pyridin-3-yl)ethan-1-ol + 2,2,2-trifluoro-1-(pyridin-3-yl)ethan-1-ol (138624-99-4) + α-(1-Methylethyl)-α-trifluormethyl-3-pyridinmethanol (87149-27-7)

Guidance literature:

3-iodopyridine; TurboGrignard; With toluene; In tetrahydrofuran; at -40 - -25 ℃; for 0.583333h; Inert atmosphere;

2,2,2-trifluoroethyl trifluoroacetate; In tetrahydrofuran; toluene; at -40 ℃; Inert atmosphere;

DOI:10.1002/ejoc.202000550

upstream raw materials:

3-Bromopyridine

2,2,2-Trifluoroacetaldehyde

3-pyridinecarboxaldehyde

(trifluoromethyl)trimethylsilane

Downstream raw materials:

3-(trifluoroacetyl)pyridine

3-(2,2,2-trifluoroethyl)pyridine