3-(Piperidin-1-ylsulfonyl)benzoic acid

Base Information

• Chemical Name: 3-(Piperidin-1-ylsulfonyl)benzoic acid
• CAS No.: 7311-93-5
• Molecular Formula: C12H15NO4S
• Molecular Weight: 269.321
• Hs Code.: 2935009090
• European Community (EC) Number: 629-981-9
• DSSTox Substance ID: DTXSID90354281
• Wikidata: Q82132331
• Mol file: 7311-93-5.mol

Synonyms:7311-93-5;3-(Piperidin-1-ylsulfonyl)benzoic acid;3-(Piperidine-1-sulfonyl)benzoic acid;3-(Piperidinosulfonyl)benzenecarboxylic acid;3-(Piperidine-1-sulfonyl)-benzoic acid;3-piperidin-1-ylsulfonylbenzoic acid;Benzoic acid,3-(1-piperidinylsulfonyl)-;Oprea1_803406;AG-205/06468016;SCHEMBL1001537;DTXSID90354281;QRFCJPBEPZZXEE-UHFFFAOYSA-N;HMS1580G10;MFCD00760901;3-(1-piperidinylsulfonyl)benzoic acid;3-(Piperidin-1-ylsulfonyl)benzoicacid;AKOS000114632;KA-0725;SB43147;3-(Piperidin-1-ylsulphonyl)benzoic acid;BB 0237871;CS-0155255;EU-0001412;FT-0681141;3-(PIPERIDINE-1-SULFONYL)-BENZOICACID;EN300-00277;D71196;AB00080329-01;A866141;SR-01000399033;SR-01000399033-1;Z53033932;F2169-0637

Chemical Property of 3-(Piperidin-1-ylsulfonyl)benzoic acid

Chemical Property:

• Vapor Pressure: 6.24E-10mmHg at 25°C
• Melting Point: 179-181
• Refractive Index: 1.592
• Boiling Point: 477.6 °C at 760 mmHg
• Flash Point: 242.7 °C
• PSA: 83.06000
• Density: 1.364 g/cm³
• LogP: 2.57810
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 269.07217913
• Heavy Atom Count: 18
• Complexity: 395

Purity/Quality:

98%min ^*data from raw suppliers

3-(Piperidin-1-ylsulfonyl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(Piperidin-1-ylsulfonyl)benzoic acid

There total 6 articles about 3-(Piperidin-1-ylsulfonyl)benzoic acid 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: 90.0%

piperidine (110-89-4) + 3-Carboxybenzenesulfonyl chloride (4025-64-3) → 3-(piperidin-1-ylsulfonyl)benzoic acid (7311-93-5)

Guidance literature:

In dichloromethane; at 0 ℃; for 0.5h;

Reference yield: 46.0%

→ 3-(piperidin-1-ylsulfonyl)benzoic acid (7311-93-5)

Guidance literature:

Reference yield:

methyl 3-(piperidin-1-ylsulfonyl)benzoate (415712-10-6) → 3-(piperidin-1-ylsulfonyl)benzoic acid (7311-93-5)

Guidance literature:

With water; sodium hydroxide; In methanol; at 20 ℃;

upstream raw materials:

piperidine

3-Carboxybenzenesulfonyl chloride

methyl 3-(piperidin-1-ylsulfonyl)benzoate

methyl 3-chlorosulfonylbenzoate

Downstream raw materials:

methyl 5-cyano-2-{[3-(piperidin-1-ylsulfonyl)benzoyl]amino}benzoate

(3-(piperidin-1-ylsulfonyl)phenyl)methanol

3-(piperidin-1-ylsulfonyl)benzaldehyde

N-[4-(1-hydroxyethyl)phenyl]-3-(piperidin-1-ylsulfonyl)benzamide

Refernces

• 1、 -. "FLT3 RECEPTOR ANTAGONISTS". Page/Page column 38; 39. . Retrieved 2016/03/29.
• 2、 -. "HEPATITIS B ANTIVIRAL AGENTS". Page/Page column 235. . Retrieved 2013/07/05.