6-methyl-4,5-dihydropyridazin-3(2H)-one

Base Information

• Chemical Name: 6-methyl-4,5-dihydropyridazin-3(2H)-one
• CAS No.: 5157-08-4
• Molecular Formula: C5H8N2O
• Molecular Weight: 112.131
• Hs Code.: 2933990090
• European Community (EC) Number: 676-451-8
• NSC Number: 48103,14585
• UNII: YQF2AB3MJY
• DSSTox Substance ID: DTXSID20199521
• Nikkaji Number: J51.268K
• Wikidata: Q72465645
• Mol file: 5157-08-4.mol

Synonyms:5157-08-4;6-methyl-4,5-dihydropyridazin-3(2H)-one;4,5-Dihydro-6-methylpyridazin-3(2H)-one;6-methyl-2,3,4,5-tetrahydropyridazin-3-one;3(2H)-Pyridazinone, 4,5-dihydro-6-methyl-;3-methyl-4,5-dihydro-1H-pyridazin-6-one;4,5-Dihydro-6-methyl-3(2H)-pyridazinone;YQF2AB3MJY;NSC 14585;6-methyl-4,5-dihydro-3(2H)-pyridazinone;MFCD00006455;NSC 48103;NSC-14585;NSC-48103;WLN: T6NMV FUTJ F1;3(2H)-Pyridazinone,5-dihydro-6-methyl-;UNII-YQF2AB3MJY;SCHEMBL138271;DTXSID20199521;CHEBI:194958;HMS1645L20;AMY24896;NSC14585;NSC48103;STK359388;AKOS000274388;AKOS025243305;AC-8382;CS-W011268;PS-4152;SY023987;LS-129903;BB 0259201;D4216;DIHYDRO-6-METHYLPYRIDAZIN-3(2H)-ONE;FT-0617184;EN300-41077;A828658;J-518882;W-204289;Z49527484;F0918-7052;6-methyl-2,4-dihydro-1H-pyridazin-3-one;6-Methyl-4,5-dihydropyridazin-3(2H)-one

Chemical Property of 6-methyl-4,5-dihydropyridazin-3(2H)-one

Chemical Property:

• Appearance/Colour: white solid
• Melting Point: 79-83 °C
• Refractive Index: 1.576
• Boiling Point: 265-270 °C
• PKA: 14.09±0.40(Predicted)
• PSA: 41.46000
• Density: 1.246 g/cm³
• LogP: 0.03670
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 112.063662883
• Heavy Atom Count: 8
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

6-Methyl-2,3,4,5-tetrahydropyridazin-3-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 37/39-26-36/37/39-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NNC(=O)CC1
• Uses: 6-Methyl-2,3,4,5-tetrahydropyridazin-3-one (cas# 5157-08-4) is a useful research chemical.

Technology Process of 6-methyl-4,5-dihydropyridazin-3(2H)-one

There total 7 articles about 6-methyl-4,5-dihydropyridazin-3(2H)-one 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: 96.0%

5'-O-DMTr-rA(Bz)po(CNE)dT-3'-O-Lev (1220703-70-7) → 3-methyl-4,5-dihydro-6-oxopyridazine (5157-08-4) + 5'-O-DMTr-rA(Bz)po(CNE)dT-3'-OH

Guidance literature:

With pyridine; hydrazine hydrate; acetic acid; for 2h;

DOI:10.1071/CH09298

Reference yield:

4-Oxo-pentanoic acid (R)-2-[(R)-2-(tert-butyl-diphenyl-silanyloxy)-propoxymethoxy]-propyl ester → 3-methyl-4,5-dihydro-6-oxopyridazine (5157-08-4) + (R)-2-[(R)-2-(tert-Butyl-diphenyl-silanyloxy)-propoxymethoxy]-2-phenyl-ethanol

Guidance literature:

With hydrazine hydrate; In pyridine; acetic acid; ethyl acetate; for 0.0333333h; Ambient temperature;

DOI:10.1016/S0040-4039(97)10094-6

Reference yield:

4-Oxo-pentanoic acid (R)-2-{(R)-2-[(R)-2-(tert-butyl-diphenyl-silanyloxy)-propoxymethoxy]-2-phenyl-ethoxymethoxy}-propyl ester → 3-methyl-4,5-dihydro-6-oxopyridazine (5157-08-4) + (R)-2-{(R)-2-[(R)-2-(tert-Butyl-diphenyl-silanyloxy)-propoxymethoxy]-2-phenyl-ethoxymethoxy}-propan-1-ol

Guidance literature:

With hydrazine hydrate; In pyridine; acetic acid; ethyl acetate; for 0.0333333h; Ambient temperature;

DOI:10.1016/S0040-4039(97)10094-6

upstream raw materials:

5'-O-DMTr-rA(Bz)po(CNE)dT-3'-O-Lev

Downstream raw materials:

valeric acid

6-Methylpyridazin-3(2H)-on

6-Methylpyridazin-3-thion

N,N'-Bis-[1-p-tolyl-meth-(E)-ylidene]-hydrazine

Refernces

• 1、 Hall, Dennis G.,Schultz, Peter G.. "Synthesis of diverse ethoxyformacetal oligomers. Toward libraries of metal-coordinating unnatural biopolymers". . p. 7825 - 7828. Retrieved 2007/10/03.