1-Methyl-1,2,3,6-tetrahydropyridin-4-yl trifluoromethanesulfonate

Base Information

• Chemical Name: 1-Methyl-1,2,3,6-tetrahydropyridin-4-yl trifluoromethanesulfonate
• CAS No.: 180692-27-7
• Molecular Formula: C7H10F3NO3S
• Molecular Weight: 245.223
• Hs Code.: 2933399090
• European Community (EC) Number: 870-878-5
• Nikkaji Number: J1.924.669H
• Mol file: 180692-27-7.mol

Synonyms:1-methyl-1,2,3,6-tetrahydropyridin-4-yl trifluoromethanesulfonate;180692-27-7;MFCD22690664;(1-methyl-3,6-dihydro-2H-pyridin-4-yl) trifluoromethanesulfonate;Methanesulfonic acid, 1,1,1-trifluoro-, 1,2,3,6-tetrahydro-1-methyl-4-pyridinyl ester;SCHEMBL306966;AKOS025290883;SB10832;AS-33852;SY108792;CS-0052479;EN300-2008050;A881094;1-methyl-1,2,3,6-tetrahydropyridin-4-yltrifluoromethanesulfonate;trifluoro-methanesulfonic acid 1-methyl-1,2,3,6-tetrahydro-pyridin-4-yl ester;trifluoromethanesulfonic acid 1-methyl-1,2,3,6-tetrahydro-pyridin-4-yl ester;Trifluoromethylsulfonic acid 1-methyl-1,2,3,6-tetrahydro-pyridin-4-yl ester

Chemical Property of 1-Methyl-1,2,3,6-tetrahydropyridin-4-yl trifluoromethanesulfonate

Chemical Property:

• PSA: 54.99000
• LogP: 2.09070
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 245.03334884
• Heavy Atom Count: 15
• Complexity: 355

Purity/Quality:

97% ^*data from raw suppliers

1-Methyl-1,2,3,6-tetrahydropyridin-4-yl trifluoromethanesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC(=CC1)OS(=O)(=O)C(F)(F)F

Technology Process of 1-Methyl-1,2,3,6-tetrahydropyridin-4-yl trifluoromethanesulfonate

There total 3 articles about 1-Methyl-1,2,3,6-tetrahydropyridin-4-yl 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: 74.07%

1-Methyl-4-piperidone (1445-73-4) + N,N-phenylbistrifluoromethane-sulfonimide (37595-74-7) → 1-methyl-4-[(trifluoromethanesulfonyl)oxy]-1,2,3,6-tetrahydropyridine (180692-27-7)

Guidance literature:

1-Methyl-4-piperidone; With lithium diisopropyl amide; In tetrahydrofuran; at -78 - -10 ℃; for 0.5h; Inert atmosphere;

N,N-phenylbistrifluoromethane-sulfonimide; In tetrahydrofuran; at -78 - 20 ℃;

Reference yield:

bis(trifluoromethanesulfonyl)amide (82113-65-3) → 1-methyl-4-[(trifluoromethanesulfonyl)oxy]-1,2,3,6-tetrahydropyridine (180692-27-7)

Guidance literature:

1-Methyl-4-piperidone; With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 - -20 ℃; for 2h;

bis(trifluoromethanesulfonyl)amide; In tetrahydrofuran; at -78 - 20 ℃; for 2h;

Reference yield:

1-Methyl-4-piperidone (1445-73-4) + phenylbis[(trifluoromethyl)sulfonyl]amine → 1-methyl-4-[(trifluoromethanesulfonyl)oxy]-1,2,3,6-tetrahydropyridine (180692-27-7)

Guidance literature:

With lithium hexamethyldisilazane; In tetrahydrofuran;

DOI:10.1016/S0960-894X(00)00156-6

upstream raw materials:

1-Methyl-4-piperidone

N,N-phenylbistrifluoromethane-sulfonimide

bis(trifluoromethanesulfonyl)amide

Downstream raw materials:

3-(1-methyl-1,2,3,4-tetrahydro-pyridin-4-yl)-5-trifluoromethyl-phenylamine

C₂₉H₂₉F₃N₂O₄S*C₂HF₃O₂

3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-5-trifluoromethyl-phenylamine

1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl )-1,2,3,6-tetrahydropyridine