AURORA 15003

Base Information

• Chemical Name: AURORA 15003
• CAS No.: 1566-32-1
• Molecular Formula: C5H7 N3 O S
• Molecular Weight: 157.1936
• Mol file: 1566-32-1.mol

Synonyms:as-Triazin-5(2H)-one,6-methyl-3-(methylthio)- (8CI); as-Triazin-5(4H)-one, 6-methyl-3-(methylthio)-(6CI,7CI); 2-Methylthio-6-azathymine;6-Methyl-3-(methylthio)-1,2,4-triazin-5(2H)-one;6-Methyl-3-methylthio-1,2,4-triazin-5-one; NSC 146046

Chemical Property of AURORA 15003

Chemical Property:

• Vapor Pressure: 0.0394mmHg at 25°C
• Melting Point: 222-223 °C
• Boiling Point: 239.8°Cat760mmHg
• PKA: 7.68±0.70(Predicted)
• Flash Point: 98.8°C
• PSA: 83.94000
• Density: 1.44g/cm³
• LogP: 0.19520

Purity/Quality:

NLT 98% ^*data from raw suppliers

6-methyl-3-(methylsulfanyl)-2,5-dihydro-1,2,4-triazin-5-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of AURORA 15003

There total 8 articles about AURORA 15003 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: 60.0%

(3-Methylsulfanyl-5-oxo-4,5-dihydro-[1,2,4]triazin-6-yl)-acetic acid (112081-00-2) → 3-Methylthio-5-oxo-dihydro-6-methyl-1,2,4-triazin (1566-32-1)

Guidance literature:

In water; for 0.0833333h; Heating;

Reference yield: 51.0%

S-methylisothiosemicarbazide hydroiodide (35600-34-1) + 2-oxo-propionic acid (127-17-3) → 3-(methylthio)-6-methyl-1,2,4-triazin-5(2H)-one (1566-32-1)

Guidance literature:

In ethanol; for 3h; Heating;

DOI:10.1021/jo00228a024

Reference yield:

6-aza-2-thiothymine (615-76-9) + methyl iodide (74-88-4) → 3-Methylthio-5-oxo-dihydro-6-methyl-1,2,4-triazin (1566-32-1)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01590a047

upstream raw materials:

6-aza-2-thiothymine

dimethyl sulfate

methyl iodide

(3-Methylsulfanyl-5-oxo-4,5-dihydro-[1,2,4]triazin-6-yl)-acetic acid

Downstream raw materials:

6-methyl-3-methylsulphanyl-[1,2,4]triazine

2-((6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl)benzonitrile

6-methyl-3-phenylmercapto-4H-[1,2,4]triazin-5-one

3-(N-methylanilino)-6-methyl-1,2,4-triazin-5(2H)-one

Refernces

• 1、 -. "CERTAIN DIPEPTIDYL PEPTIDASE INHIBITORS". Page/Page column 18. . Retrieved 2011/07/08.
• 2、 Heinisch, L.. "Synthesis of New Substituted as-Triazine-6-carboxylic Acids and as-Triazine-6-yl-alkanoic Acids". . p. 290 - 300. Retrieved 2007/10/02.