N-Methyl-N'-[4-(6-oxo-3-phenylpyridazin-1(6H)-yl)butyl]urea

Base Information

Chemical Name:N-Methyl-N'-[4-(6-oxo-3-phenylpyridazin-1(6H)-yl)butyl]urea
CAS No.:87653-22-3
Molecular Formula:C16H20N4O2
Molecular Weight:300.36
Hs Code.:
DSSTox Substance ID:DTXSID40539980
Nikkaji Number:J1.587.981E
Wikidata:Q82415822

Synonyms:87653-22-3;DTXSID40539980;N-Methyl-N'-[4-(6-oxo-3-phenylpyridazin-1(6H)-yl)butyl]urea

Suppliers and Price of N-Methyl-N'-[4-(6-oxo-3-phenylpyridazin-1(6H)-yl)butyl]urea

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of N-Methyl-N'-[4-(6-oxo-3-phenylpyridazin-1(6H)-yl)butyl]urea

Chemical Property:

XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:300.15862589
Heavy Atom Count:22
Complexity:453

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CNC(=O)NCCCCN1C(=O)C=CC(=N1)C2=CC=CC=C2

Technology Process of N-Methyl-N'-[4-(6-oxo-3-phenylpyridazin-1(6H)-yl)butyl]urea

There total 4 articles about N-Methyl-N'-[4-(6-oxo-3-phenylpyridazin-1(6H)-yl)butyl]urea 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: 90.0%

: 96-31-1
N,N'-Dimethylurea

: 65536-89-2
2-Allyl-6-phenyl-2H-pyridazin-3-one

: 87653-22-3
2-<4-(3-methyl-1-ureido)butyl>-6-phenyl-3(2H)-pyridazinone

Guidance literature:: With [(1,5-cyclooctadiene)(OH)iridium(I)]2; 1,1'-(1,2-phenylene)bis[1,1-bis(1-methylethyl)phosphine]; In toluene; at 70 ℃; for 20h; Inert atmosphere; Schlenk technique;
DOI:10.1002/anie.201702169

Reference yield: 86.0%

: 79460-62-1
2-(2-aminobutyl)-6-phenyl-3(2H)-pyridazinone

: 624-83-9
methyl isocyanate

: 87653-22-3
2-<4-(3-methyl-1-ureido)butyl>-6-phenyl-3(2H)-pyridazinone

Guidance literature:: In chloroform; for 2h; Heating;

Reference yield:

: 2166-31-6
6-phenylpyridazin-3(2H)-one

: 87653-22-3
2-<4-(3-methyl-1-ureido)butyl>-6-phenyl-3(2H)-pyridazinone

Guidance literature:: Multi-step reaction with 3 steps

1: 87 percent / tetra-n-butylammonium bromide, potassium hydroxyde / benzene / 6 h / Ambient temperature

2: 87 percent / 1.) 100percent hydrazine hydrate; 2.) aq. 10percent hydrochloric / ethanol / 1.) reflux, 5 h; 2.) pH=4.0, reflux, 2 h

3: 86 percent / CHCl₃ / 2 h / Heating

With hydrogenchloride; potassium hydroxide; tetrabutylammomium bromide; hydrazine hydrate; In ethanol; chloroform; benzene;