N-benzyl-3-piperidin-1-ylsulfonylbenzamide

Base Information

• Chemical Name: N-benzyl-3-piperidin-1-ylsulfonylbenzamide
• CAS No.: 300667-25-8
• Molecular Formula: C₁₉H₂₂N₂O₃S
• Molecular Weight: 358.461
• DSSTox Substance ID: DTXSID401332286
• ChEMBL ID: CHEMBL1588146
• Mol file: 300667-25-8.mol

Synonyms:N-benzyl-3-piperidin-1-ylsulfonylbenzamide;MLS001219832;N-Benzyl-3-(piperidine-1-sulfonyl)-benzamide;SMR000607563;N-benzyl-3-(piperidin-1-ylsulfonyl)benzamide;Cambridge id 5230056;Oprea1_508162;Oprea1_817326;CBDivE_011503;SCHEMBL1003299;CHEMBL1588146;BDBM94448;cid_1076673;QAXYZIGXQZJYPS-UHFFFAOYSA-N;DTXSID401332286;HMS2894H07;AKOS000727996;N-benzyl-3-piperidinosulfonyl-benzamide;WAY-299658;300667-25-8;N-Benzyl-3-(1-piperidinylsulfonyl)benzamide;AB00076020-01;N-(phenylmethyl)-3-(1-piperidinylsulfonyl)benzamide;N-(phenylmethyl)-3-piperidin-1-ylsulfonyl-benzamide;Z27749601

Chemical Property of N-benzyl-3-piperidin-1-ylsulfonylbenzamide

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 358.13511374
• Heavy Atom Count: 25
• Complexity: 531

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

Technology Process of N-benzyl-3-piperidin-1-ylsulfonylbenzamide

There total 4 articles about N-benzyl-3-piperidin-1-ylsulfonylbenzamide 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: 65.0%

3-(piperidin-1-ylsulfonyl)benzoic acid (7311-93-5) + benzylamine (100-46-9) → N-benzyl-3-(piperidin-1-ylsulfonyl)benzamide (300667-25-8)

Guidance literature:

With 2-chloro-1,3-dimethyl imidazolium chloride; triethylamine; In dichloromethane; chloroform; at 20 ℃; for 1h;

Reference yield:

piperidine (110-89-4) + C14H12ClNO3S → N-benzyl-3-(piperidin-1-ylsulfonyl)benzamide (300667-25-8)

Guidance literature:

With triethylamine; In acetonitrile; at 40 ℃; Flow reactor;

DOI:10.3762/bjoc.13.33

Reference yield:

3-chlorosulfonylbenzoyl dichloride (4052-92-0) → N-benzyl-3-(piperidin-1-ylsulfonyl)benzamide (300667-25-8)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / acetonitrile / 20 °C / Flow reactor

2: triethylamine / acetonitrile / 40 °C / Flow reactor

With triethylamine; In acetonitrile;

DOI:10.3762/bjoc.13.33

upstream raw materials:

3-(piperidin-1-ylsulfonyl)benzoic acid

benzylamine

piperidine

3-chlorosulfonylbenzoyl dichloride