toluene-4-sulfonic acid 1-(3-chloro-4-fluorobenzoyl)-4-fluoropiperidin-4-yl-methyl Ester

Base Information

Chemical Name:toluene-4-sulfonic acid 1-(3-chloro-4-fluorobenzoyl)-4-fluoropiperidin-4-yl-methyl Ester
CAS No.:208111-37-9
Molecular Formula:C₂₀H₂₀ClF₂NO₄S
Molecular Weight:443.899
Hs Code.:
DSSTox Substance ID:DTXSID901113946

Synonyms:208111-37-9;SCHEMBL6980823;FBEIXWJZTJWCQM-UHFFFAOYSA-N;DTXSID901113946;Toluene-4-sulfonic acid 1-(3-chloro-4-fluoro-benzoyl)-4-fluoro-piperidin-4-ylmethyl ester;toluene-4-sulfonic acid 1-(3-chloro-4-fluorobenzoyl)-4-fluoropiperidin-4-yl-methyl Ester;(3-Chloro-4-fluorophenyl)[4-fluoro-4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-1-piperidinyl]methanone

Suppliers and Price of toluene-4-sulfonic acid 1-(3-chloro-4-fluorobenzoyl)-4-fluoropiperidin-4-yl-methyl Ester

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
Packaging
price

Total 0 raw suppliers

Chemical Property of toluene-4-sulfonic acid 1-(3-chloro-4-fluorobenzoyl)-4-fluoropiperidin-4-yl-methyl Ester

Chemical Property:

XLogP3:4.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:443.0769633
Heavy Atom Count:29
Complexity:671

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCN(CC2)C(=O)C3=CC(=C(C=C3)F)Cl)F

Technology Process of toluene-4-sulfonic acid 1-(3-chloro-4-fluorobenzoyl)-4-fluoropiperidin-4-yl-methyl Ester

There total 6 articles about toluene-4-sulfonic acid 1-(3-chloro-4-fluorobenzoyl)-4-fluoropiperidin-4-yl-methyl Ester 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: 83.0%

: 98-59-9
p-toluenesulfonyl chloride

: 208111-36-8
N-(3-chloro-4-fluorobenzoyl)-4-fluoro-4-hydroxymethylpiperidine

: 208111-37-9
N-(3-chloro-4-fluorobenzoyl)-4-fluoro-4-(4-methylphenylsulonuloxymethyl)-piperidine

Guidance literature:: With pyridine; Ambient temperature;
DOI:10.1021/jm9806906

Reference yield:

: 177-11-7
4,4-ethylenedioxy-piperidine

: 208111-37-9
N-(3-chloro-4-fluorobenzoyl)-4-fluoro-4-(4-methylphenylsulonuloxymethyl)-piperidine

Guidance literature:: Multi-step reaction with 5 steps

1: TEA / CHCl₃ / 17 h / Ambient temperature

2: 80 percent aq. formic acid, CuSO₄ / 16 h / 80 °C

3: dimethylsulfoxide / 3.5 h / 60 °C

4: 50 percent / HF*pyridine / CH₂Cl₂ / a) -10 deg C, 15 min, b) RT, 16 h

5: 83 percent / pyridine / Ambient temperature

With pyridine; formic acid; TEA; pyridine hydrogenfluoride; copper(II) sulfate; In dichloromethane; chloroform; dimethyl sulfoxide;
DOI:10.1021/jm9806906

Reference yield:

: 65055-17-6
3-chloro-4-fluorobenzoyl chloride

: 208111-37-9
N-(3-chloro-4-fluorobenzoyl)-4-fluoro-4-(4-methylphenylsulonuloxymethyl)-piperidine

Guidance literature:: Multi-step reaction with 5 steps

1: TEA / CHCl₃ / 17 h / Ambient temperature

2: 80 percent aq. formic acid, CuSO₄ / 16 h / 80 °C

3: dimethylsulfoxide / 3.5 h / 60 °C

4: 50 percent / HF*pyridine / CH₂Cl₂ / a) -10 deg C, 15 min, b) RT, 16 h

5: 83 percent / pyridine / Ambient temperature

With pyridine; formic acid; TEA; pyridine hydrogenfluoride; copper(II) sulfate; In dichloromethane; chloroform; dimethyl sulfoxide;
DOI:10.1021/jm9806906