4-(3-Pyridylthioacetyl)morpholine

Base Information

• Chemical Name: 4-(3-Pyridylthioacetyl)morpholine
• CAS No.: 5423-64-3
• Molecular Formula: C11H14N2OS
• Molecular Weight: 222.311
• Hs Code.: 2934999090
• NSC Number: 41709,13221
• UNII: LGQ9KUA8GC
• DSSTox Substance ID: DTXSID40202581
• Nikkaji Number: J53.712H
• Wikidata: Q83075885
• ChEMBL ID: CHEMBL1602991
• Mol file: 5423-64-3.mol

Synonyms:5423-64-3;4-(3-Pyridylthioacetyl)morpholine;Morpholine, 4-(3-pyridylthioacetyl)-;1-morpholin-4-yl-2-pyridin-3-ylethanethione;LGQ9KUA8GC;4-[2-(3-pyridinyl)ethanethioyl]morpholine;NSC-13221;NSC-41709;1-Morpholino-2-(3-pyridinyl)ethanethione;1-(4-Morpholinyl)-2-(3-pyridinyl)ethanethione;WLN: T6N DOTJ AYUS&1- CT6NJ;NSC 13221;Morpholino-3-pyridylmethylthione;NSC 41709;BRN 0184999;UNII-LGQ9KUA8GC;1-morpholin-4-yl-2-(3-pyridyl)ethane-1-thione;Oprea1_708948;4-27-00-00565 (Beilstein Handbook Reference);MLS000697962;1-(morpholin-4-yl)-2-(pyridin-3-yl)ethane-1-thione;SCHEMBL4397895;CHEMBL1602991;DTXSID40202581;HMS1607D15;HMS2517E13;NSC13221;NSC41709;STK029918;AKOS000490923;SDCCGMLS-0064607.P001;NCGC00247111-01;SMR000224906;BB 0268033;1-Morpholino-2-(pyridin-3-yl)ethane-1-thione;1-(morpholin-4-yl)-2-(pyridin-3-yl)ethanethione;AE-641/10048012;1-MORPHOLIN-4-YL-2-PYRIDIN-3-YL-ETHANETHIONE;Z57228539;ETHANETHIONE, 1-(4-MORPHOLINYL)-2-(3-PYRIDINYL)-;MORPHOLINE, 4-(2-(3-PYRIDINYL)-1-THIOXOETHYL)-

Chemical Property of 4-(3-Pyridylthioacetyl)morpholine

Chemical Property:

• Vapor Pressure: 6.63E-06mmHg at 25°C
• Melting Point: 78.5-79.5 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
• Boiling Point: 377.7°Cat760mmHg
• PKA: 4.86±0.10(Predicted)
• Flash Point: 182.2°C
• PSA: 57.45000
• Density: 1.224g/cm³
• LogP: 1.22160
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 222.08268425
• Heavy Atom Count: 15
• Complexity: 217

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-MORPHOLIN-4-YL-2-PYRIDIN-3-YL-ETHANETHIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1C(=S)CC2=CN=CC=C2

Technology Process of 4-(3-Pyridylthioacetyl)morpholine

There total 2 articles about 4-(3-Pyridylthioacetyl)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: 76.0%

morpholine (110-91-8,99108-56-2) + methyl-3-pyridylketone (350-03-8) → (pyridin-3-yl)thioacetmorpholide (5423-64-3)

Guidance literature:

With sulfur; for 12h; reflux;

DOI:10.1002/1099-0690(200106)2001:12<2343::AID-EJOC2343>3.0.CO;2-I

Reference yield: 48.39%

→ (pyridin-3-yl)thioacetmorpholide (5423-64-3)

Guidance literature:

Reference yield: 77.0%

(pyridin-3-yl)thioacetmorpholide (5423-64-3) → 3-pyridineacetic acid hydrochloride (6419-36-9)

Guidance literature:

(pyridin-3-yl)thioacetmorpholide; With potassium hydroxide; In ethanol; for 72h; reflux;

With hydrogenchloride; In water; Further stages.;

DOI:10.1002/1099-0690(200106)2001:12<2343::AID-EJOC2343>3.0.CO;2-I

upstream raw materials:

morpholine

methyl-3-pyridylketone

Downstream raw materials:

pyridyl-3-yl-acetic acid

methyl pyridine-3-acetate

pyridin-3-yl-acetic acid ethyl ester

3-pyridineacetic acid hydrochloride

Refernces

• 1、 Reichardt, Christian,Che, Daqing,Heckenkemper, Guido,Schaefer, Gerhard. "Syntheses and UV/Vis-spectroscopic properties of hydrophilic 2-, 3-, and 4-pyridyl-substituted solvatochromic and halochromic pyridinium N-phenolate betaine dyes as new empirical solvent polarity indicators". . p. 2343 - 2361. Retrieved 2007/10/03.