18481-26-0

Basic information

• Product Name: 4-[(4-amino-2-methyl-5-pyrimidinylmethyl)(formyl)amino]-3-(2-hydroxyethyl)-2-thiapent-3-enyl benzoate
• Synonyms: 4-[(4-amino-2-methyl-5-pyrimidinylmethyl)(formyl)amino]-3-(2-hydroxyethyl)-2-thiapent-3-enyl benzoate;benzoyloxymethylthiamine;BT-851;N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[2-[[[(benzoyl)oxy]methyl]thio]-4-hydroxy-1-methyl-1-butenyl]formamide;4-((4-Amino-2-methyl-5-pyrimidinylmethyl)(formyl)amino)-3-(2-hydroxyethyl)-2-thiapent-3-enyl benzoate;Einecs 242-371-3
• CAS NO: 18481-26-0
• Molecular Formula: C₂₀H₂₄N₄O₄S
• Molecular Weight: 416.49396
• EINECS: 242-371-3
• Mol File: 18481-26-0.mol
• Article Data: 0

Chemical Properties

• Boiling Point: 692.7°Cat760mmHg
• Flash Point: 372.7°C
• Appearance: /
• Density: 1.31g/cm³
• Vapor Pressure: 3.84E-20mmHg at 25°C
• Refractive Index: 1.631
• CAS DataBase Reference: 4-[(4-amino-2-methyl-5-pyrimidinylmethyl)(formyl)amino]-3-(2-hydroxyethyl)-2-thiapent-3-enyl benzoate(CAS DataBase Reference)
• NIST Chemistry Reference: 4-[(4-amino-2-methyl-5-pyrimidinylmethyl)(formyl)amino]-3-(2-hydroxyethyl)-2-thiapent-3-enyl benzoate(18481-26-0)
• EPA Substance Registry System: 4-[(4-amino-2-methyl-5-pyrimidinylmethyl)(formyl)amino]-3-(2-hydroxyethyl)-2-thiapent-3-enyl benzoate(18481-26-0)

Safety Data

• Hazardous Substances Data: 18481-26-0(Hazardous Substances Data)

Usage

General Description

The chemical 4-[(4-amino-2-methyl-5-pyrimidinylmethyl)(formyl)amino]-3-(2-hydroxyethyl)-2-thiapent-3-enyl benzoate is a complex organic compound with multiple functional groups. It contains a pyrimidine ring with an amino group, a formyl group, and a methyl group, as well as a thiol group and a benzoate ester. The compound also includes a hydroxyethyl group and a thioether linkage. This chemical structure suggests potential use in organic synthesis or pharmaceutical applications, due to its diverse functional groups and potential reactivity. However, its specific properties and uses would need to be determined through further analysis and research.

InChI:InChI=1/C20H24N4O4S/c1-14(24(12-26)11-17-10-22-15(2)23-19(17)21)18(8-9-25)29-13-28-20(27)16-6-4-3-5-7-16/h3-7,10,12,25H,8-9,11,13H2,1-2H3,(H2,21,22,23)