2-((2-((2-Furylmethyl)thio)ethyl)amino)-5-((6-methyl-3-pyridyl)methyl)-1H-pyrimidin-4-one

Base Information

• Chemical Name: 2-((2-((2-Furylmethyl)thio)ethyl)amino)-5-((6-methyl-3-pyridyl)methyl)-1H-pyrimidin-4-one
• CAS No.: 72717-05-6
• Molecular Formula: C18H20 N4 O2 S
• Molecular Weight: 356.448
• European Community (EC) Number: 276-782-4
• DSSTox Substance ID: DTXSID90993533
• Nikkaji Number: J296.352C
• Wikidata: Q82984226
• Mol file: 72717-05-6.mol

Synonyms:EINECS 276-782-4;72717-05-6;2-((2-((2-Furylmethyl)thio)ethyl)amino)-5-((6-methyl-3-pyridyl)methyl)-1H-pyrimidin-4-one;2-[[2-[(2-furylmethyl)thio]ethyl]amino]-5-[(6-methyl-3-pyridyl)methyl]-1h-pyrimidin-4-one;SCHEMBL10793377;DTXSID90993533;2-[2-(Furfurylthio)ethylamino]-5-(6-methylpyridin-3-ylmethyl)pyrimidin-4(1H)-one;2-[(2-{[(Furan-2-yl)methyl]sulfanyl}ethyl)imino]-5-[(6-methylpyridin-3-yl)methyl]-1,2-dihydropyrimidin-4-ol

Chemical Property of 2-((2-((2-Furylmethyl)thio)ethyl)amino)-5-((6-methyl-3-pyridyl)methyl)-1H-pyrimidin-4-one

Chemical Property:

• Vapor Pressure: 1.68E-11mmHg at 25°C
• Boiling Point: 534.5°C at 760 mmHg
• Flash Point: 277°C
• PSA: 112.60000
• Density: 1.3g/cm³
• LogP: 2.83660
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 356.13069707
• Heavy Atom Count: 25
• Complexity: 523

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=CO3

Technology Process of 2-((2-((2-Furylmethyl)thio)ethyl)amino)-5-((6-methyl-3-pyridyl)methyl)-1H-pyrimidin-4-one

There total 2 articles about 2-((2-((2-Furylmethyl)thio)ethyl)amino)-5-((6-methyl-3-pyridyl)methyl)-1H-pyrimidin-4-one 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%

2-[[[2-furanyl]methyl]thio]ethanamine (36415-21-1) + 2-nitroamino-5-(6-methylpyrid-3-ylmethyl)-4(1H)-pyrimidone (72716-93-9) → 2-<2-(2-furanylmethylthio)ethylamino>-5-(6-methyl-3-pyridylmethyl)pyrimidin-4-one (72717-05-6)

Guidance literature:

In ethanol; for 24h; Heating;

DOI:10.1016/0223-5234(90)90204-G

Reference yield:

α-furylmethylthioethylamine + 2-methoxy-4(3H)-pyrimidinone (25902-86-7) → 2-<2-(2-furanylmethylthio)ethylamino>-5-(6-methyl-3-pyridylmethyl)pyrimidin-4-one (72717-05-6)

Guidance literature:

In toluene;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-<2-(2-furanylmethylthio)ethylamino>-5-(6-methyl-3-pyridylmethyl)pyrimidin-4-one (72717-05-6) + dimethyl amine (124-40-3) → Lupitidine (83903-06-4)

Guidance literature:

In water; acetic acid; Heating;

DOI:10.1016/0223-5234(90)90204-G

upstream raw materials:

2-[[[2-furanyl]methyl]thio]ethanamine

2-nitroamino-5-(6-methylpyrid-3-ylmethyl)-4(1H)-pyrimidone

2-methoxy-4(3H)-pyrimidinone

Downstream raw materials:

Lupitidine

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