7-(3-(N-Methylnicotinamidomethyl)-2-hydroxypropyl)theophylline nicotinate

Base Information

• Chemical Name: 7-(3-(N-Methylnicotinamidomethyl)-2-hydroxypropyl)theophylline nicotinate
• CAS No.: 51920-68-4
• Molecular Formula: C23H23N7O5
• Molecular Weight: 477.47
• DSSTox Substance ID: DTXSID70966240
• Nikkaji Number: J130.194B
• Mol file: 51920-68-4.mol

Synonyms:51920-68-4;BRN 1198171;7-(3-(N-Methylnicotinamidomethyl)-2-hydroxypropyl)theophylline nicotinate;7-Theophyllineethanol, alpha-(N-methylnicotinamidomethyl)-, nicotinate (ester);Purineethanol, 1,3-dimethyl-2,6-dioxo-alpha-(N-methylnicotinamidomethyl)-, nicotinate;DTXSID70966240;LS-149543;1,3-Dimethyl-7-[2-(nicotinoyloxy)-3-(N-nicotinoyl-N-methylamino)propyl]-1H-purine-2,6(3H,7H)-dione;1-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-3-[methyl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate;3-Pyridinecarboxylic acid, 1-[[methyl(3-pyridinylcarbonyl)amino]methyl]-2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester

Chemical Property of 7-(3-(N-Methylnicotinamidomethyl)-2-hydroxypropyl)theophylline nicotinate

Chemical Property:

• Vapor Pressure: 1.34E-23mmHg at 25°C
• Boiling Point: 769.5°C at 760 mmHg
• Flash Point: 419.2°C
• PSA: 134.21000
• Density: 1.4g/cm³
• LogP: 0.22150
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 477.17606686
• Heavy Atom Count: 35
• Complexity: 826

Purity/Quality:

7-(3-(N-METHYLNICOTINAMIDOMETHYL)-2-HYDROXYPROPYL)THEOPHYLLINE NICOTINATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)C(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4

Technology Process of 7-(3-(N-Methylnicotinamidomethyl)-2-hydroxypropyl)theophylline nicotinate

There total 1 articles about 7-(3-(N-Methylnicotinamidomethyl)-2-hydroxypropyl)theophylline nicotinate 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:

→ nicotinic acid 1-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-ylmethyl)-2-(methyl-nicotinoyl-amino)-ethyl ester (51920-68-4)

Guidance literature:

/BRN= 109715/, entspr. Aminoalkohol;