3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine

Base Information

Chemical Name:3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine
CAS No.:1084953-47-8
Molecular Formula:C12H17BF3NO3
Molecular Weight:273.063
Hs Code.:2934999090
European Community (EC) Number:860-111-2
DSSTox Substance ID:DTXSID40694386
Wikidata:Q72512653
Mol file:1084953-47-8.mol

Synonyms:1084953-47-8;3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine;5-TRIFLUOROMETHYLPYRIDINE-3-BORONIC ACID PINACOL ESTER;5-(Trifluoromethyl)pyridine-3-boronic acid pinacol ester;3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine;MFCD12198142;5-Trifluoromethyl-pyridine-3-boronic acid pinacol ester;SCHEMBL1085545;DTXSID40694386;BCP09578;(5-(TRIFLUOROMETHYL)PYRIDIN-3-YL)BORONIC ACID PINACOL ESTER;AKOS015950213;AM85477;CS-W005560;DS-4110;PB28383;SY042273;FT-0696428;EN300-218527;J-517955;Z2037320103;3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-5-trifluoromethyl-pyridine;3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-5-trifluoromethylpyridine

Suppliers and Price of 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 37 raw suppliers

Chemical Property of 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine

Chemical Property:

Boiling Point:357.889 °C at 760 mmHg
Flash Point:170.246 °C
PSA：31.35000
Density:1.227 g/cm³
LogP:2.39960
Storage Temp.:under inert gas (nitrogen or Argon) at 2-8°C
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:273.1147934
Heavy Atom Count:19
Complexity:330

Purity/Quality:: 99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)C(F)(F)F

Technology Process of 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine

There total 7 articles about 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine 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: 82.0%

: 73183-34-3
bis(pinacol)diborane

: 436799-33-6
3-bromo-5-(trifluoromethyl)pyridine

: 1084953-47-8
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine

Guidance literature:: 3-bromo-5-(trifluoromethyl)pyridine; With potassium acetate; bis-triphenylphosphine-palladium(II) chloride; In 1,4-dioxane; for 0.25h;

bis(pinacol)diborane; In 1,4-dioxane; at 100 ℃; for 20h;

Reference yield: 36.0%

: 1-(5-(trifluoromethyl)pyridin-3-yl)butan-1-one O-perfluorobenzoyl oxime

: 73183-34-3
bis(pinacol)diborane

: 1084953-47-8
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine

Guidance literature:: With 2,6-di-tert-butyl-4-methyl-phenol; potassium carbonate; 2-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)pyridine; sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate; tris<3,5-bis(trifluoromethyl)phenyl>phosphane; palladium dichloride; In 1,2-dichloro-ethane; at 120 ℃; for 12h; Inert atmosphere; Sealed tube;
DOI:10.1002/anie.202006740

Reference yield:

: 3796-23-4
3-(trifluoromethyl)pyridine

: 73183-34-3
bis(pinacol)diborane

: 1084953-47-8
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine

Guidance literature:: bis(pinacol)diborane; With bis(1,5-cyclooctadiene)diiridium(I) dichloride; C₅₁H₃₂N₈Zn; In para-xylene; at 20 ℃; for 0.5h; Schlenk technique;

3-(trifluoromethyl)pyridine; In para-xylene; at 80 ℃; for 20h; regioselective reaction; Schlenk technique;
DOI:10.1002/anie.202101997