3-(4-Fluorophenylsulfonyl)piperidine-1-carboxylic acid tert-butyl ester

Base Information

• Chemical Name: 3-(4-Fluorophenylsulfonyl)piperidine-1-carboxylic acid tert-butyl ester
• CAS No.: 887590-22-9
• Molecular Formula: C16H22 F N O4 S
• Molecular Weight: 343.419
• DSSTox Substance ID: DTXSID80698823
• Mol file: 887590-22-9.mol

Synonyms:887590-22-9;3-(4-fluorophenylsulfonyl)piperidine-1-carboxylic acid tert-butyl ester;DTXSID80698823;BXLYXLSDBIYVET-UHFFFAOYSA-N;tert-Butyl 3-(4-fluoro-benzenesulfonyl)-piperidine-1-carboxylate;tert-Butyl 3-(4-fluorobenzene-1-sulfonyl)piperidine-1-carboxylate

Chemical Property of 3-(4-Fluorophenylsulfonyl)piperidine-1-carboxylic acid tert-butyl ester

Chemical Property:

• Boiling Point: 473.6±45.0 °C(Predicted)
• PKA: -3.60±0.40(Predicted)
• PSA: 72.06000
• Density: 1.243±0.06 g/cm3(Predicted)
• LogP: 4.01760
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 343.12535752
• Heavy Atom Count: 23
• Complexity: 515

Purity/Quality:

98% ^*data from raw suppliers

3-(4-fluoro-benzenesulfonyl)-piperidine-1-carboxylicacidtert-butylester 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCCC(C1)S(=O)(=O)C2=CC=C(C=C2)F

Technology Process of 3-(4-Fluorophenylsulfonyl)piperidine-1-carboxylic acid tert-butyl ester

There total 3 articles about 3-(4-Fluorophenylsulfonyl)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: 74.0%

tert-butyl 3-[(4-fluorophenyl)thio] piperidine-1-carboxylate (950649-01-1) → tert-butyl 3-(4-fluoro-benzenesulfonyl)-piperidine-1-carboxylate (887590-22-9)

Guidance literature:

With aluminum oxide; Oxone; In chloroform; water; for 18h; Heating / reflux;

Reference yield:

tert-butyl 3-methanesulfonyl-piperidine-1-carboxylate (950649-00-0) → tert-butyl 3-(4-fluoro-benzenesulfonyl)-piperidine-1-carboxylate (887590-22-9)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / acetonitrile / 18 h / Heating / reflux

2: aluminum oxide; Oxone / chloroform; water / 18 h / Heating / reflux

With aluminum oxide; Oxone; potassium carbonate; In chloroform; water; acetonitrile;

Reference yield:

N-tert-butoxycarbonyl-3-piperidinol (85275-45-2) → tert-butyl 3-(4-fluoro-benzenesulfonyl)-piperidine-1-carboxylate (887590-22-9)

Guidance literature:

Multi-step reaction with 3 steps

1: pyridine; dmap / dichloromethane / 18.17 h / 0 °C

2: potassium carbonate / acetonitrile / 18 h / Heating / reflux

3: aluminum oxide; Oxone / chloroform; water / 18 h / Heating / reflux

With pyridine; dmap; aluminum oxide; Oxone; potassium carbonate; In dichloromethane; chloroform; water; acetonitrile;

upstream raw materials:

tert-butyl 3-[(4-fluorophenyl)thio] piperidine-1-carboxylate

tert-butyl 3-methanesulfonyl-piperidine-1-carboxylate

N-tert-butoxycarbonyl-3-piperidinol

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 887590-22-9 3-(4-FLUORO-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Send

Send

Metric Ton KG G Pound L ML

Send

Send