3-(METHYLTHIO)-6-PHENYL-1,2,4-TRIAZIN-5-OL

Base Information

• Chemical Name: 3-(METHYLTHIO)-6-PHENYL-1,2,4-TRIAZIN-5-OL
• CAS No.: 1566-37-6
• Molecular Formula: C10H9N3OS
• Molecular Weight: 219.267
• Hs Code.: 2933699090
• Mol file: 1566-37-6.mol

Synonyms:3-methylsulfanyl-6-phenyl-4H-1,2,4-triazin-5-one;6-phenyl-3-methylmercapto-as-triazin-5-one;HMS645C03;3-Methylmercapto-6-phenyl-4H-[1,2,4]triazin-5-on;3-(methylthio)-6-phenyl-1,2,4-triazin-5(4H)-one;3-Methylmercapto-5-oxo-6-phenyl-4,5-dihydro-as-triazin;3-methylthio-6-phenyl-1,2,4-triazinone;

Chemical Property of 3-(METHYLTHIO)-6-PHENYL-1,2,4-TRIAZIN-5-OL

Chemical Property:

• PSA: 84.20000
• LogP: 1.96610

Purity/Quality:

98%min ^*data from raw suppliers

3-(METHYLTHIO)-6-PHENYL-1,2,4-TRIAZIN-5-OL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3-(METHYLTHIO)-6-PHENYL-1,2,4-TRIAZIN-5-OL

There total 8 articles about 3-(METHYLTHIO)-6-PHENYL-1,2,4-TRIAZIN-5-OL 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: 97.7%

Benzoylformic acid (611-73-4) + methyl iodide (74-88-4) → 6-phenyl-3-methylmercapto-as-triazin-5-one (1566-37-6)

Guidance literature:

thiosemicarbazide; Benzoylformic acid; In water; for 0.25h; Heating / reflux;

With potassium hydroxide; In methanol; water; at 80 ℃; for 48h;

methyl iodide; In methanol; water; at 40 ℃; for 0.5h;

Reference yield: 90.0%

6-phenyl-1,2,4-triazine-3(2H)-thione-5(4H)-one (447-00-7,16075-92-6) + methyl iodide (74-88-4) → 6-phenyl-3-methylmercapto-as-triazin-5-one (1566-37-6)

Guidance literature:

With sodium hydroxide; In methanol; water; at 20 - 25 ℃; for 3.5h;

Reference yield: 85.0%

S-methylisothiosemicarbazide hydroiodide (35600-34-1) + Benzoylformic acid (611-73-4) → 3-methylmercapto-5-oxo-6-phenyl-2,5-dihydro-1,2,4-triazine (1566-37-6)

Guidance literature:

With sodium hydrogencarbonate; In ethanol; for 3h; Heating;

DOI:10.1021/jo00228a024

upstream raw materials:

phenylglyoxylic acid ethyl ester

S-methylisothiosemicarbazide hydriodide

6-phenyl-1,2,4-triazine-3(2H)-thione-5(4H)-one

methyl iodide

Downstream raw materials:

3-phenylamino-5-oxo-6-phenyl-2,5-dihydro-1,2,4-triazine

11-methyl-3-phenyl-2H-<1,2,4>triazino<3,2-b>quinazoline-2,6(11H)-dione

2-amino-3-methylthio-6-phenyl-1,2,4-triazinone

5-chlor-3-methylthio-6-phenyl-1,2,4-triazine

Refernces

• 1、 -. "TRIAZINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION THEREOF". Page/Page column 5-6. . Retrieved 2008/06/13.
• 2、 Mironovich, L. M.,Salistyi, S. M.. "INFLUENCE OF MEDIUM AND TYPE OF SUBSTITUENT ON THE YIELD OF PRODUCTS OF METHYLATION OF 4-SUBSTITUTED 1,2,4-TRIAZINE-3(2H)-THION-5(4H)-ONES". . p. 888 - 890. Retrieved 2007/10/03.