3-(ethylsulfanyl)-6-methyl-5H-[1,2,4]triazino[5,6-b]indole

Base Information

• Chemical Name: 3-(ethylsulfanyl)-6-methyl-5H-[1,2,4]triazino[5,6-b]indole
• CAS No.: 5488-55-1
• Molecular Formula: C17H16O7
• Molecular Weight: 332.31
• DSSTox Substance ID: DTXSID90415487
• Wikidata: Q82224436
• ChEMBL ID: CHEMBL1351353
• Mol file: 5488-55-1.mol

Synonyms:STK508940;5488-55-1;MLS000107005;CBMicro_022525;ChemDiv1_028322;MixCom6_000514;Oprea1_070406;CHEMBL1351353;HMS667H08;DTXSID90415487;HMS2499E05;CCG-9431;AKOS000354767;SMR000111379;BIM-0022408.P001;SR-01000210828;SR-01000210828-1;5H-1,2,4-triazino[5,6-b]indole,3-(ethylthio)-6-methyl-;3-(ethylsulfanyl)-6-methyl-5H-[1,2,4]triazino[5,6-b]indole

Chemical Property of 3-(ethylsulfanyl)-6-methyl-5H-[1,2,4]triazino[5,6-b]indole

Chemical Property:

• Vapor Pressure: 2.7E-09mmHg at 25°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 244.07826757
• Heavy Atom Count: 17
• Complexity: 275

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC1=NC2=C(C3=CC=CC(=C3N2)C)N=N1

Technology Process of 3-(ethylsulfanyl)-6-methyl-5H-[1,2,4]triazino[5,6-b]indole

There total 4 articles about 3-(ethylsulfanyl)-6-methyl-5H-[1,2,4]triazino[5,6-b]indole 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:

lecanoric acid (480-56-8) + dimethyl sulfate (77-78-1) → 3-hydroxy-4-(methoxycarbonyl)-5-methylphenyl-2,4-dihydroxy-6-methylbenzoate (5488-55-1)

Guidance literature:

With potassium carbonate; In acetone; at 0 - 20 ℃; for 18h; Inert atmosphere;

DOI:10.1080/10286020.2019.1628024

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + lecanoric acid (480-56-8) → 3-hydroxy-4-(methoxycarbonyl)-5-methylphenyl-2,4-dihydroxy-6-methylbenzoate (5488-55-1)

Guidance literature:

With diethyl ether;

Reference yield:

lecanoric acid (480-56-8) + diazomethyl-trimethyl-silane (18107-18-1) → 3-hydroxy-4-(methoxycarbonyl)-5-methylphenyl-2,4-dihydroxy-6-methylbenzoate (5488-55-1)

Guidance literature:

for 0.166667h;

DOI:10.1016/S0031-9422(97)00958-8

upstream raw materials:

diazomethane

lecanoric acid

diazomethyl-trimethyl-silane

dimethyl sulfate