6-(2,2-Diethyl-6-sulfamoyl-1-hexyloxy)-7-methyl(1,2,4)triazolo(1,5-b)pyridazine

Base Information

• Chemical Name: 6-(2,2-Diethyl-6-sulfamoyl-1-hexyloxy)-7-methyl(1,2,4)triazolo(1,5-b)pyridazine
• CAS No.: 152537-63-8
• Molecular Formula: C₁₆H₂₇N₅O₃S
• Molecular Weight: 369.488
• DSSTox Substance ID: DTXSID30165055
• Wikidata: Q83034199
• Mol file: 152537-63-8.mol

Synonyms:152537-63-8;6-(2,2-Diethyl-6-sulfamoyl-1-hexyloxy)-7-methyl(1,2,4)triazolo(1,5-b)pyridazine;1-Heptanesulfonamide, 5-ethyl-5-((7-methyl(1,2,4)triazolo(1,5-b)pyridazin-6-yl)oxy)methyl)-;5-Ethyl-5-((7-methyl(1,2,4)triazolo(1,5-b)pyridazin-6-yloxy)methyl)-1-heptanesulfonamide;5-ethyl-5-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]heptane-1-sulfonamide;6-(2,2-Diethyl-6-sulfamoyl-1-hexyloxy)-7-methyl(1,2,4)triazolo(1,5-b)p yridazine;6-(2,2-diethyl-6-sulfamoyl-1-hexyloxy)-7-methyl[1,2,4]triazolo[1,5-b]pyridazine;SCHEMBL8310623;DTXSID30165055;C16-H27-N5-O3-S;LS-74348;L009402

Chemical Property of 6-(2,2-Diethyl-6-sulfamoyl-1-hexyloxy)-7-methyl(1,2,4)triazolo(1,5-b)pyridazine

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 10.79±0.60(Predicted)
• Flash Point: °C
• PSA: 120.85000
• Density: 1.29g/cm³
• LogP: 3.85780
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 369.18346091
• Heavy Atom Count: 25
• Complexity: 506

Purity/Quality:

6-(2,2-DIETHYL-6-SULFAMOYL-1-HEXYLOXY)-7-METHYL(1,2,4)TRIAZOLO(1,5-B)P YRIDAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)(CCCCS(=O)(=O)N)COC1=NN2C(=NC=N2)C=C1C

Technology Process of 6-(2,2-Diethyl-6-sulfamoyl-1-hexyloxy)-7-methyl(1,2,4)triazolo(1,5-b)pyridazine

There total 4 articles about 6-(2,2-Diethyl-6-sulfamoyl-1-hexyloxy)-7-methyl(1,2,4)triazolo(1,5-b)pyridazine 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:

6-chloro-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine (51519-27-8) + 6-hydroxy-5,5-diethyl-1-hexanesulfonamide → 6-(2,2-diethyl-6-sulfamoyl-1-hexyloxy)-7-methyl[1,2,4]triazolo[1,5-b]pyridazine (152537-63-8)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction; 1.) DMF, RT, 1 h, 2.) DMF, RT, 18 h;

DOI:10.1248/cpb.45.1447

Reference yield:

6-chloro-5-methylpyridazin-3-amine (66346-87-0) → 6-(2,2-diethyl-6-sulfamoyl-1-hexyloxy)-7-methyl[1,2,4]triazolo[1,5-b]pyridazine (152537-63-8)

Guidance literature:

Multi-step reaction with 3 steps

1: toluene

2: 1.) NH₂OH*HCl, 2.) polyphosphoric acid

3: 1.) NaH / 1.) DMF, RT, 1 h, 2.) DMF, RT, 18 h

With PPA; hydroxylamine hydrochloride; sodium hydride; In toluene;

DOI:10.1248/cpb.45.1447

Reference yield:

ethyl 6-aminosulfonyl-2,2-diethylhexanoate (152537-34-3) → 6-(2,2-diethyl-6-sulfamoyl-1-hexyloxy)-7-methyl[1,2,4]triazolo[1,5-b]pyridazine (152537-63-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 97 percent / LiAlH₄ / tetrahydrofuran / a) 0 deg C, 0.5 h, b) RT, 0.5 h

2: 1.) NaH / 1.) DMF, RT, 1 h, 2.) DMF, RT, 18 h

With lithium aluminium tetrahydride; sodium hydride; In tetrahydrofuran;

DOI:10.1248/cpb.45.1447

upstream raw materials:

6-chloro-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine

6-chloro-5-methylpyridazin-3-amine

ethyl 6-aminosulfonyl-2,2-diethylhexanoate

N’-(6-chloro-5-methylpyridazin-3-yl)-N,N-dimethylformimidamide