6-Methyl-2-nitro-3-pyridyl trifluoromethanesulfonate

Base Information

• Chemical Name: 6-Methyl-2-nitro-3-pyridyl trifluoromethanesulfonate
• CAS No.: 163083-48-5
• Molecular Formula: C7H5 F3 N2 O5 S
• Molecular Weight: 246.1428096
• Hs Code.: 2933399090
• European Community (EC) Number: 621-958-1
• DSSTox Substance ID: DTXSID10447801
• Wikidata: Q82266695
• Mol file: 163083-48-5.mol

Synonyms:6-Methyl-2-nitro-3-pyridyl trifluoromethanesulfonate;163083-48-5;(6-methyl-2-nitropyridin-3-yl) trifluoromethanesulfonate;6-Methyl-2-nitropyridin-3-yl trifluoromethanesulfonate;6-Methyl-2-nitro-3-pyridyl triflate;SCHEMBL4050738;DTXSID10447801;J-009996;6-Methyl-2-nitro-3-pyridyl trifluoromethanesulfonate, 97%;Trifluoro-methanesulfonic acid 6-methyl-2-nitro-pyridin-3-yl ester

Chemical Property of 6-Methyl-2-nitro-3-pyridyl trifluoromethanesulfonate

Chemical Property:

• Vapor Pressure: 1.29E-05mmHg at 25°C
• Refractive Index: 1.501
• Boiling Point: 379.3°C at 760 mmHg
• Flash Point: >230 °F
• PSA: 119.69000
• Density: 1.536 g/mL at 25 °C
• LogP: 3.06220
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 285.98712692
• Heavy Atom Count: 18
• Complexity: 412

Purity/Quality:

98%min ^*data from raw suppliers

6-METHYL-2-NITRO-3-PYRIDYL TRIFLUOROMETHANESULFONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25-36/37/38-43
• Safety Statements: 26-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=C(C=C1)OS(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Technology Process of 6-Methyl-2-nitro-3-pyridyl trifluoromethanesulfonate

There total 1 articles about 6-Methyl-2-nitro-3-pyridyl trifluoromethanesulfonate 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: 98.0%

trifluoromethylsulfonic anhydride (358-23-6) + 6-methyl-2-nitropyridin-3-ol (15128-90-2) → 6-methyl-2-nitropyridin-3-yl trifluoromethanesulfonate (163083-48-5)

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; for 2h;

Reference yield: 86.0%

6-methyl-2-nitropyridin-3-yl trifluoromethanesulfonate (163083-48-5) + ethyl 2-(benzylamino)acetate (6436-90-4) → ethyl N-benzyl-N-(6-methyl-2-nitropyridin-3-yl)glycinate (721921-40-0)

Guidance literature:

at 95 ℃; for 20h;

Reference yield: 65.0%

6-methyl-2-nitropyridin-3-yl trifluoromethanesulfonate (163083-48-5) + 2-(2,4-dichlorophenoxy)ethylamine (1199-28-6) → C14H13Cl2N3O3 (1355026-34-4)

Guidance literature:

In N,N-dimethyl-formamide; at 100 ℃; for 12h;

DOI:10.1016/j.bmcl.2011.10.096

upstream raw materials:

trifluoromethylsulfonic anhydride

6-methyl-2-nitropyridin-3-ol

Downstream raw materials:

1,6-DIMETHYL-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one

1,6-dimethyl-1,2,3,4-TETRAHYDROPYRIDO[2,3-b]pyrazine

ethyl N-benzyl-N-(6-methyl-2-nitropyridin-3-yl)glycinate

N-(6-methyl-2-nitropyridin-3-yl)-N-[3-(pyridin-3-yl)phenyl]amine

Refernces

• 1、 -. "PROTEIN KINASE C INHIBITORS AND METHODS OF THEIR USE". Paragraph 0160. . Retrieved 2016/04/20.
• 2、 Boys, Mark L.,Schretzman, Lori A.,Chandrakumar, Nizal S.,Tollefson, Michael B.,Mohler, Scott B.,Downs, Victoria L.,Penning, Thomas D.,Russell, Mark A.,Wendt, John A.,Chen, Barbara B.,Stenmark, Heather G.,Wu, Hongwei,Spangler, Dale P.,Clare, Michael,Desai, Bipin N.,Khanna, Ish K.,Nguyen, Maria N.,Duffin, Tiffany,Engleman, V. Wayne,Finn, Mary Beth,Freeman, Sandra K.,Hanneke, Melanie L.,Keene, Jeffery L.,Klover, Jon A.,Nickols, G. Allen,Nickols, Maureen A.,Steininger, Christina N.,Westlin, Marisa,Westlin, William,Yu, Yi X.,Wang, Yaping,Dalton, Christopher R.,Norring, Sarah A.. "Convergent, parallel synthesis of a series of β-substituted 1,2,4-oxadiazole butanoic acids as potent and selective α vβ3 receptor antagonists". . p. 839 - 844. Retrieved 2007/10/03.