6-[(3-Methoxyphenyl)methyl]pyridazin-3-amine

Base Information

• Chemical Name: 6-[(3-Methoxyphenyl)methyl]pyridazin-3-amine
• CAS No.: 874338-91-7
• Molecular Formula: C₁₂H₁₃N₃O
• Molecular Weight: 215.255
• DSSTox Substance ID: DTXSID10467726
• Nikkaji Number: J2.269.073F
• Wikidata: Q72517789
• Mol file: 874338-91-7.mol

Synonyms:874338-91-7;6-(3-methoxybenzyl)pyridazin-3-amine;6-[(3-methoxyphenyl)methyl]pyridazin-3-amine;6-[(3-METHOXYPHENYL)METHYL]-3-PYRIDAZINAMINE;SCHEMBL21384109;DTXSID10467726;FT-0756900;3-Pyridazinamine,6-((3-methoxyphenyl)methyl)-

Chemical Property of 6-[(3-Methoxyphenyl)methyl]pyridazin-3-amine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.607
• Boiling Point: 442.906 °C at 760 mmHg
• PKA: 5.15±0.10(Predicted)
• Flash Point: 221.662 °C
• PSA: 61.03000
• Density: 1.186 g/cm³
• LogP: 2.23940
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 215.105862047
• Heavy Atom Count: 16
• Complexity: 212

Purity/Quality:

98%Min ^*data from raw suppliers

6-[(3-METHOXYPHENYL)METHYL]-3-PYRIDAZINAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)CC2=NN=C(C=C2)N

Technology Process of 6-[(3-Methoxyphenyl)methyl]pyridazin-3-amine

There total 7 articles about 6-[(3-Methoxyphenyl)methyl]pyridazin-3-amine 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: 40.0%

6-chloro-pyridazin-3-ylamine (5469-69-2) + 1-bromomethyl-3-methoxybenzene (874-98-6) → 6-(3-methoxybenzyl)pyridazin-3-amine (874338-91-7)

Guidance literature:

1-bromomethyl-3-methoxybenzene; With diethylzinc; 1,3-bis[(diphenylphosphino)propane]dichloronickel(II); In 1,4-dioxane; toluene; at 100 ℃; for 4h;

6-chloro-pyridazin-3-ylamine; In 1,4-dioxane; toluene; for 2h; Heating;

DOI:10.1016/j.tetlet.2005.11.013

Reference yield: 40.0%

methanol (67-56-1) + 6-(3-bromobenzyl)pyridazin-3-amine + sodium methylate (124-41-4) → 6-(3-methoxybenzyl)pyridazin-3-amine (874338-91-7)

Guidance literature:

With copper(l) iodide; at 80 ℃; for 72h; Sealed tube;

Reference yield:

methyl 6-(4-methoxybenzylamino)pyridazine-3-carboxylate → 6-(3-methoxybenzyl)pyridazin-3-amine (874338-91-7)

Guidance literature:

Multi-step reaction with 5 steps

1.1: sodium tetrahydroborate; methanol / 16 h / 0 - 20 °C

2.1: 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione / dimethyl sulfoxide / 5 h / 0 - 20 °C

3.1: n-butyllithium / tetrahydrofuran; hexane / -78 °C / Inert atmosphere

3.2: -78 - 0 °C

4.1: Heating

5.1: copper(l) iodide / 72 h / 80 °C / Sealed tube

With methanol; sodium tetrahydroborate; copper(l) iodide; n-butyllithium; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In tetrahydrofuran; hexane; dimethyl sulfoxide;

upstream raw materials:

6-chloro-pyridazin-3-ylamine

1-bromomethyl-3-methoxybenzene

methanol

sodium methylate

Refernces

• 1、 -. "COMPOUNDS AND USES THEREOF". Page/Page column 292-293. . Retrieved 2019/10/15.