Methyl 2-(pyridazin-3-YL)acetate

Base Information

• Chemical Name: Methyl 2-(pyridazin-3-YL)acetate
• CAS No.: 37444-32-9
• Molecular Formula: C7H8N2O2
• Molecular Weight: 152.15062
• DSSTox Substance ID: DTXSID60423332
• Nikkaji Number: J2.261.702H
• Wikidata: Q82235526
• Mol file: 37444-32-9.mol

Synonyms:METHYL 2-(PYRIDAZIN-3-YL)ACETATE;37444-32-9;METHYL PYRIDAZIN-3-YL-ACETATE;Methyl 2-pyridazin-3-ylacetate;SCHEMBL3967993;DTXSID60423332;GAGFGBBDBCPGQY-UHFFFAOYSA-N;AMY34210;MFCD04038670;Pyridazine-3-acetic acid methyl ester;PB10290;METHYL2-(PYRIDAZIN-3-YL)ACETATE;CS-0053769;A874111

Chemical Property of Methyl 2-(pyridazin-3-YL)acetate

Chemical Property:

• Boiling Point: 143 °C(Press: 1 Torr)
• PKA: 2.51±0.10(Predicted)
• PSA: 52.08000
• Density: 1.182±0.06 g/cm3(Predicted)
• LogP: 0.19210
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 152.058577502
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

97% ^*data from raw suppliers

methyl2-(pyridazin-3-yl)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1=NN=CC=C1

Technology Process of Methyl 2-(pyridazin-3-YL)acetate

There total 1 articles about Methyl 2-(pyridazin-3-YL)acetate 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: 11.0%

carbonic acid dimethyl ester (616-38-6) → methyl pyridazin-3-yl-acetate (37444-32-9)

Guidance literature:

3-methylpyridazine; With n-butyllithium; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at -78 ℃; for 1.00033h;

carbonic acid dimethyl ester; In tetrahydrofuran; at -78 - 25 ℃; for 48h;

With water; ammonium chloride; In tetrahydrofuran;

Reference yield: 78.0%

3-bromobenzylamine (10269-01-9) + methyl pyridazin-3-yl-acetate (37444-32-9) → methyl 7-(3-bromophenyl)imidazo[1,5-b]pyridazine-5-carboxylate

Guidance literature:

With tert.-butylhydroperoxide; N-iodo-succinimide; In N,N-dimethyl-formamide; at 20 ℃; for 18h; chemoselective reaction;

DOI:10.1021/acs.joc.6b01517

Reference yield:

acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) + methyl pyridazin-3-yl-acetate (37444-32-9) → C14H16N2O5 (960371-47-5)

Guidance literature:

acrylic acid methyl ester; methyl pyridazin-3-yl-acetate; With potassium tert-butylate; In tetrahydrofuran; at 25 ℃; for 0.666667h;

With water; ammonium chloride; In tetrahydrofuran;

upstream raw materials:

carbonic acid dimethyl ester

Downstream raw materials:

C₁₄H₁₆N₂O₅

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