1-(Ethylsulfonyl)piperidin-4-amine

Base Information

• Chemical Name: 1-(Ethylsulfonyl)piperidin-4-amine
• CAS No.: 759456-76-3
• Molecular Formula: C₇H₁₆N₂O₂S
• Molecular Weight: 192.282
• European Community (EC) Number: 895-492-4
• DSSTox Substance ID: DTXSID20588315
• Wikidata: Q82480916
• Mol file: 759456-76-3.mol

Synonyms:1-(ethylsulfonyl)piperidin-4-amine;759456-76-3;4-AMINO-1-ETHANESULFONYLPIPERIDINE;1-ethylsulfonylpiperidin-4-amine;1-(Ethanesulfonyl)piperidin-4-amine;1-(ethylsulfonyl)-4-piperidinamine;SCHEMBL695370;DTXSID20588315;PCJDRCGDIIPPST-UHFFFAOYSA-N;1-ethylsulphonylpiperidin-4-ylamine;BBL037252;MFCD06805737;STK501527;AKOS000132045;MCULE-5778537219;SB41478;AS-35712;DA-30630;CS-0137909;EN300-28817;A917271;Z239097712

Chemical Property of 1-(Ethylsulfonyl)piperidin-4-amine

Chemical Property:

• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 192.09324893
• Heavy Atom Count: 12
• Complexity: 224

Purity/Quality:

97% ^*data from raw suppliers

1-(Ethylsulfonyl)piperidin-4-amine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCS(=O)(=O)N1CCC(CC1)N

Technology Process of 1-(Ethylsulfonyl)piperidin-4-amine

There total 3 articles about 1-(Ethylsulfonyl)piperidin-4-amine 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: 94.0%

4-(tert-butoxycarbonyl)amino-1-ethanesulfonylpiperidine (651056-52-9) → 1-(ethanesulfonyl)piperidin-4-amine (759456-76-3)

Guidance literature:

4-(tert-butoxycarbonyl)amino-1-ethanesulfonylpiperidine; With hydrogenchloride; methanol; In 1,4-dioxane; at 20 ℃;

With sodium hydroxide; In tetrahydrofuran; water;

Reference yield:

Ethanesulfonyl chloride (594-44-5) + piperidin-4-ylcarbamic acid benzyl ester (182223-54-7) → 1-(ethanesulfonyl)piperidin-4-amine (759456-76-3)

Guidance literature:

Ethanesulfonyl chloride; piperidin-4-ylcarbamic acid benzyl ester; With triethylamine; In dichloromethane; at 0 - 20 ℃;

With hydrogenchloride; In dichloromethane; water; for 0.166667h;

With hydrogen; palladium(II) hydroxide; In methanol; at 20 ℃; Inert atmosphere;

Reference yield:

(piperidin-4-yl)carbamic acid tert-butyl ester (73874-95-0) → 1-(ethanesulfonyl)piperidin-4-amine (759456-76-3)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 1 h / 20 °C

2: hydrogenchloride / ethanol / 1 h / 50 °C

With hydrogenchloride; triethylamine; In ethanol; dichloromethane;

upstream raw materials:

4-(tert-butoxycarbonyl)amino-1-ethanesulfonylpiperidine

Ethanesulfonyl chloride

piperidin-4-ylcarbamic acid benzyl ester

(piperidin-4-yl)carbamic acid tert-butyl ester

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