4-(Pyridin-3-ylsulfonyl)morpholine

Base Information

• Chemical Name: 4-(Pyridin-3-ylsulfonyl)morpholine
• CAS No.: 26103-48-0
• Molecular Formula: C₉H₁₂N₂O₃S
• Molecular Weight: 228.272
• Hs Code.: 2934999090
• European Community (EC) Number: 668-067-4
• ChEMBL ID: CHEMBL4570099
• DSSTox Substance ID: DTXSID00401472
• Nikkaji Number: J2.933.214B
• Wikidata: Q82204599
• Mol file: 26103-48-0.mol

Synonyms:4-(Pyridin-3-ylsulfonyl)morpholine;26103-48-0;4-pyridin-3-ylsulfonylmorpholine;4-(Pyridin-3-ylsulphonyl)morpholine;Morpholine, 4-(3-pyridinylsulfonyl)-;MFCD00090297;4-(pyridine-3-sulfonyl)morpholine;3-(Morpholinosulfonyl)pyridine;Morpholine,4-(3-pyridinylsulfonyl)-;SCHEMBL6183139;CHEMBL4570099;4-(3-Pyridylsulfonyl)morpholine;DTXSID00401472;4-(3-pyridinylsulfonyl)morpholine;BYBGTJZHRACDCL-UHFFFAOYSA-N;BBA10348;4-(pyridine-3-sulfonyl)-morpholine;AKOS010077815;NCGC00181908-01;BS-22143;SY317105;CS-0187763;D97370;A877373;AE-562/43459057;Z751810922

Chemical Property of 4-(Pyridin-3-ylsulfonyl)morpholine

Chemical Property:

• Vapor Pressure: 9.77E-07mmHg at 25°C
• Melting Point: 120 °C
• Refractive Index: 1.57
• Boiling Point: 404 °C at 760 mmHg
• PKA: 2.89±0.11(Predicted)
• Flash Point: 198.1 °C
• PSA: 67.88000
• Density: 1.35 g/cm³
• LogP: 1.12120
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 228.05686342
• Heavy Atom Count: 15
• Complexity: 293

Purity/Quality:

95-99% ^*data from raw suppliers

4-(Pyridin-3-ylsulfonyl)morpholine 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1S(=O)(=O)C2=CN=CC=C2

Technology Process of 4-(Pyridin-3-ylsulfonyl)morpholine

There total 6 articles about 4-(Pyridin-3-ylsulfonyl)morpholine 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: 83.0%

4-(benzoyloxy)morpholine (5765-65-1) + sodium pyridine-3-sulfinate → 3-Morpholinosulfonylpyridine (26103-48-0)

Guidance literature:

4-(benzoyloxy)morpholine; sodium pyridine-3-sulfinate; In 1,2-dichloro-ethane; at 80 ℃; for 12h; Schlenk technique; Inert atmosphere;

With copper(ll) bromide; In 1,2-dichloro-ethane; for 12h; Temperature; Schlenk technique; Inert atmosphere;

DOI:10.1039/c5cc06069a

Reference yield: 81.0%

→ 3-Morpholinosulfonylpyridine (26103-48-0)

Guidance literature:

Reference yield: 74.0%

morpholine (110-91-8,99108-56-2) + S-(3-pyridyl) benzothioate (93056-12-3) → 3-Morpholinosulfonylpyridine (26103-48-0)

Guidance literature:

S-(3-pyridyl) benzothioate; With trichloroisocyanuric acid; benzyltrimethylammonium chloride; sodium carbonate; In water; acetonitrile; at 0 ℃; for 0.333333h;

morpholine; In water; acetonitrile; at 0 - 20 ℃; for 0.333333h;

DOI:10.1016/j.tetlet.2010.12.050

upstream raw materials:

morpholine

Pyridine-3-sulfonyl chloride

3-pyridinesulfonic acid

S-(3-pyridyl) benzothioate

Downstream raw materials:

[3-(Morpholine-4-sulfonyl)-pyridin-4-yl]-diphenyl-methanol

Refernces

• 1、 Ho, Danny K.H.,Chan, Lily,Hooper, Alice,Brennan, Paul E.. "A general and mild two-step procedure for the synthesis of aryl and heteroaryl sulfonamides from the corresponding iodides". experimental part. p. 820 - 823. Retrieved 2011/03/18.
• 2、 Breant, P.,Marsais, F.,Queguiner, G.. "Regioselective Lithiation of 3-Pyridylsulfonic Acid Derivatives: A Convenient Route to Various New 4-Substituted 3-Pyridylsulfonamides". . p. 822 - 824. Retrieved 2007/10/02.