4-Morpholino-6,6-dimethyl-5,6-dihydropyridine-2(1H)-thione

Base Information

• Chemical Name: 4-Morpholino-6,6-dimethyl-5,6-dihydropyridine-2(1H)-thione
• CAS No.: 62432-97-7
• Molecular Formula: C11H18N2OS
• Molecular Weight: 226.343
• NSC Number: 351200
• DSSTox Substance ID: DTXSID70400891
• Nikkaji Number: J1.898.927A
• ChEMBL ID: CHEMBL2361141
• Mol file: 62432-97-7.mol

Synonyms:MLS003171093;62432-97-7;NSC351200;CHEMBL2361141;DTXSID70400891;NSC-351200;SMR001875002;4-Morpholino-6,6-dimethyl-5,6-dihydropyridine-2(1H)-thione

Chemical Property of 4-Morpholino-6,6-dimethyl-5,6-dihydropyridine-2(1H)-thione

Chemical Property:

• Vapor Pressure: 0.000265mmHg at 25°C
• Boiling Point: 323.2°C at 760 mmHg
• Flash Point: 149.3°C
• Density: 1.17g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 226.11398438
• Heavy Atom Count: 15
• Complexity: 293

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(=CC(=S)N1)N2CCOCC2)C

Technology Process of 4-Morpholino-6,6-dimethyl-5,6-dihydropyridine-2(1H)-thione

There total 5 articles about 4-Morpholino-6,6-dimethyl-5,6-dihydropyridine-2(1H)-thione 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: 74.0%

4-methyl-pent-3-en-2-one (141-79-7) + morpholinium thiocyanate (22390-67-6) → 5,6-dihydro-6,6-dimethyl-4-(1-morpholinyl)pyridine-2(1H)-thione (62432-97-7)

Guidance literature:

for 4h; Reflux; Molecular sieve;

DOI:10.1007/s00706-015-1503-y

Reference yield: 40.0%

morpholine (110-91-8,99108-56-2) + 4-(dimethylamino)-5,6-dihydro-6,6-dimethyl-2(1H)-pyridinthione (59743-23-6) → 5,6-dihydro-6,6-dimethyl-4-(1-morpholinyl)pyridine-2(1H)-thione (62432-97-7)

Guidance literature:

for 24h; Heating;

DOI:10.1007/BF00901825

Reference yield: 35.0%

morpholine-4-carbothioic acid 1,1-dimethyl-3-oxo-butylamide (55113-93-4) → morpholinothiourea (14294-10-1) + 5,6-dihydro-6,6-dimethyl-4-(1-morpholinyl)pyridine-2(1H)-thione (62432-97-7)

Guidance literature:

In xylene; Heating;

upstream raw materials:

morpholine

4-(dimethylamino)-5,6-dihydro-6,6-dimethyl-2(1H)-pyridinthione

5,6-Dihydro-4-hydroxy-6,6-dimethyl-2(1H)-pyridinthion

morpholine-4-carbothioic acid 1,1-dimethyl-3-oxo-butylamide

Downstream raw materials:

4-Aminodihydro-2(1H)-pyridinthion

5,6-Dihydro-4-hydroxy-6,6-dimethyl-2(1H)-pyridinthion

4-methylamino-6,6-dimethyl-5,6-dihydropyridine-2(1H)-thione

6,6-dimethyl-4-(phenylamino)-5,6-dihydropyridine-2(1H)-thione