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

Base Information

• Chemical Name: 6-(4,4-Dimethyl-6-sulfamoyl-1-hexyloxy)-7-methyl(1,2,4)triazolo(1,5-b)pyridazine
• CAS No.: 152537-68-3
• Molecular Formula: C₁₄H₂₃N₅O₃S
• Molecular Weight: 341.434
• DSSTox Substance ID: DTXSID70165059
• Nikkaji Number: J880.174F
• Wikidata: Q83034206
• Mol file: 152537-68-3.mol

Synonyms:1-Hexanesulfonamide, 3,3-dimethyl-6-((7-methyl(1,2,4)triazolo(1,5-b)pyridazin-6-yl)oxy)-;6-(4,4-Dimethyl-6-sulfamoyl-1-hexyloxy)-7-methyl(1,2,4)triazolo(1,5-b)pyridazine;3,3-Dimethyl-6-((7-methyl(1,2,4)triazolo(1,5-b)pyridazin-6-yl)oxy)-1-hexanesulfonamide;152537-68-3;6-(4,4-dimethyl-6-sulfamoyl-1-hexyloxy)-7-methyl[1,2,4]triazolo[1,5-b]pyridazine;SCHEMBL8315046;DTXSID70165059;MEQITBVYLVEZNJ-UHFFFAOYSA-N;LS-75150;3,3-Dimethyl-6-(7-methyl[1,2,4]triazolo[1,5-b]pyridazin-6-yloxy)hexane-1-sulfonamide

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

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.35g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 341.15216079
• Heavy Atom Count: 23
• Complexity: 479

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=NC=NN2N=C1OCCCC(C)(C)CCS(=O)(=O)N

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

There total 22 articles about 6-(4,4-Dimethyl-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-(N,N-dimethylaminomethylene)aminosulfonyl-4,4-dimethyl-1-hexanol → 6-(4,4-dimethyl-6-sulfamoyl-1-hexyloxy)-7-methyl[1,2,4]triazolo[1,5-b]pyridazine (152537-68-3)

Guidance literature:

Reference yield:

3,3-Dimethyl-6-(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yloxy)-hexane-1-sulfonic acid 1-dimethylamino-meth-(E)-ylideneamide → 6-(4,4-dimethyl-6-sulfamoyl-1-hexyloxy)-7-methyl[1,2,4]triazolo[1,5-b]pyridazine (152537-68-3)

Guidance literature:

With hydrogenchloride; at 110 ℃; for 0.5h; Yield given;

DOI:10.1248/cpb.45.1447

Reference yield:

6-chloro-5-methylpyridazin-3-amine (66346-87-0) → 6-(4,4-dimethyl-6-sulfamoyl-1-hexyloxy)-7-methyl[1,2,4]triazolo[1,5-b]pyridazine (152537-68-3)

Guidance literature:

Multi-step reaction with 4 steps

1: toluene

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

3: 1.) NaH / 1.) THF, RT, 1 h, 2.) THF, RT, 20 h

4: aq. HCl / 0.5 h / 110 °C

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

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

4-hydroxy-3,3-dimethyl-1-butanesulfonamide

4,4-Dimethyl-6-sulfamoyl-hexanoic acid