2-BROMO-3-PYRIDYL TRIFLUOROMETHANESULFO&

Base Information

• Chemical Name: 2-BROMO-3-PYRIDYL TRIFLUOROMETHANESULFO&
• CAS No.: 157373-97-2
• Molecular Formula: C6H3 Br F3 N O3 S
• Molecular Weight: 306.06
• Hs Code.: 2933399090
• European Community (EC) Number: 631-530-6
• DSSTox Substance ID: DTXSID90443543
• Nikkaji Number: J1.063.595K
• Mol file: 157373-97-2.mol

Synonyms:Methanesulfonicacid, trifluoro-, 2-bromo-3-pyridinyl ester (9CI); 2-Bromo-3-pyridyl triflate;Trifluoromethanesulfonic acid 2-bromopyridin-3-yl ester

Chemical Property of 2-BROMO-3-PYRIDYL TRIFLUOROMETHANESULFO&

Chemical Property:

• Vapor Pressure: 0.000574mmHg at 25°C
• Refractive Index: n20/D 1.4806
• Boiling Point: 321°C at 760 mmHg
• PKA: -2.85±0.10(Predicted)
• Flash Point: 110 °C
• PSA: 64.64000
• Density: 1.7869 g/mL at 25 °C
• LogP: 3.15330
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 304.89691
• Heavy Atom Count: 15
• Complexity: 313

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-3-pyridyl trifluoromethanesulfonate 96% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25-36/37/38
• Safety Statements: 26-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(N=C1)Br)OS(=O)(=O)C(F)(F)F

Technology Process of 2-BROMO-3-PYRIDYL TRIFLUOROMETHANESULFO&

There total 1 articles about 2-BROMO-3-PYRIDYL TRIFLUOROMETHANESULFO& 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: 94.0%

2-bromo-pyridin-3-ol (6602-32-0) + trifluoromethylsulfonic anhydride (358-23-6) → 2-bromopyridin-3-yl trifluoromethanesulfonate (157373-97-2)

Guidance literature:

With pyridine; at -10 - 23 ℃; for 1.75h;

Reference yield: 83.0%

o-fluorophenylboronic acid (1993-03-9) + 2-bromopyridin-3-yl trifluoromethanesulfonate (157373-97-2) → trifluoromethanesulfonic acid 2-(2-fluorophenyl)pyridin-3-yl ester (1264712-14-2)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate; In 1,2-dimethoxyethane; water; at 80 ℃; for 5h; Inert atmosphere;

DOI:10.1002/ejoc.201001393

Reference yield: 69.0%

phenylacetylene (536-74-3) + 2-bromopyridin-3-yl trifluoromethanesulfonate (157373-97-2) → 2-chloro-4-(4-chlorophenyl)thiazole (222167-93-3)

Guidance literature:

With triethylamine; bis-triphenylphosphine-palladium(II) chloride; lithium chloride; In N,N-dimethyl-formamide; at 55 ℃; for 15h;

DOI:10.1055/s-1999-3379

upstream raw materials:

2-bromo-pyridin-3-ol

trifluoromethylsulfonic anhydride

Downstream raw materials:

2-chloro-4-(4-chlorophenyl)thiazole

3-Phenylethynyl-pyridine-2-carbaldehyde

3-Phenylethynyl-pyridine-2-carbaldehyde oxime

3-[3-(2-cyclopropyl-pyridin-3-yl)-phenyl]-3-oxo-propionic acid tert-butyl ester

Refernces

• 1、 Ucar, Sefa,Dastan, Arif. "One-pot homo- and cross-coupling of diazanaphthalenes via C-H substitution: Synthesis of Bis- and Tris-diazanaphthalenes". supporting information. p. 4013 - 4022. Retrieved 2020/09/21.
• 2、 -. "Acetylenyl-pyrazolo-pyrimidine derivatives". Page/Page column 27. . Retrieved 2008/06/13.