4-(4-Chloro-phenylsulfanyl)-piperidine-1-carboxylic acid tert-butyl ester

Base Information

• Chemical Name: 4-(4-Chloro-phenylsulfanyl)-piperidine-1-carboxylic acid tert-butyl ester
• CAS No.: 333954-87-3
• Molecular Formula: C16H22ClNO2S
• Molecular Weight: 327.875
• DSSTox Substance ID: DTXSID001166229

Synonyms:4-(4-Chloro-phenylsulfanyl)-piperidine-1-carboxylic acid tert-butyl ester;SCHEMBL2797073;FCEZOLHPNIBOHF-UHFFFAOYSA-N;DTXSID001166229;1,1-Dimethylethyl 4-[(4-chlorophenyl)thio]-1-piperidinecarboxylate;333954-87-3

Chemical Property of 4-(4-Chloro-phenylsulfanyl)-piperidine-1-carboxylic acid tert-butyl ester

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 327.1059778
• Heavy Atom Count: 21
• Complexity: 343

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC(CC1)SC2=CC=C(C=C2)Cl

Technology Process of 4-(4-Chloro-phenylsulfanyl)-piperidine-1-carboxylic acid tert-butyl ester

There total 6 articles about 4-(4-Chloro-phenylsulfanyl)-piperidine-1-carboxylic acid tert-butyl 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: 97.0%

1-(tert-butyl) 4-(1,3-dioxoisoindolin-2-yl) piperidine-1,4-dicarboxylate (1872262-73-1) + p-Chlorothiophenol (106-54-7) → tert-butyl 4-[(4-chlorophenyl)thio] piperidine-1-carboxylate (333954-87-3)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dimethyl sulfoxide; at 20 ℃; for 8h; Schlenk technique; Inert atmosphere; Sealed tube; Irradiation; Green chemistry;

DOI:10.1021/acs.joc.1c01433

Reference yield: 86.0%

p-Chlorothiophenol (106-54-7) + 1-(tert-butoxycarbonyl)piperidin-4-yl methanesulfonate (141699-59-4) → tert-butyl 4-[(4-chlorophenyl)thio] piperidine-1-carboxylate (333954-87-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 - 70 ℃;

Reference yield: 78.0%

4,4'-dichlorodiphenyl disulfide (1142-19-4) + 1-(tert-butyl) 4-(1,3-dioxoisoindolin-2-yl) piperidine-1,4-dicarboxylate (1872262-73-1) → tert-butyl 4-[(4-chlorophenyl)thio] piperidine-1-carboxylate (333954-87-3)

Guidance literature:

With triethylamine; In dimethyl sulfoxide; for 4h; Inert atmosphere; Schlenk technique; Irradiation;

DOI:10.1021/acs.joc.1c02586

upstream raw materials:

4,4'-dichlorodiphenyl disulfide

t-butyl 4-hydroxy piperidine-1-carboxylate

p-Chlorothiophenol

tert-butyl 4-bromo-1-piperidinecarboxylate

Downstream raw materials:

4-((4-chlorophenyl)thio)piperidine

5-Chloro-N-[(1S)-2-[(2-{4-[(4-chlorophenyl)thio]-1-piperidinyl}-2-oxoethyl)amino]-2-oxo-1-(2-pyridylmethyl)ethyl]-1-benzofuran-2-carboxamide

(2E)-3-(4-Chlorophenyl)-N-[(1S)-2-[(2-{4-[(4-chlorophenyl)thio]-1-piperidinyl}-2-oxoethyl)amino]-2-oxo-1-(2-pyridylmethyl)ethyl]-2-propenamide

4-(4-chloro-benzenesulfonyl)-1-[2-(2,4-difluoro-phenyl)-ethyl]-piperidine

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