3-(2,4-Dimethoxyphenyl)-1H-pyrazole

Base Information

• Chemical Name: 3-(2,4-Dimethoxyphenyl)-1H-pyrazole
• CAS No.: 150433-17-3
• Molecular Formula: C₁₁H₁₂N₂O₂
• Molecular Weight: 204.228
• Hs Code.: 2933199090
• European Community (EC) Number: 681-441-1
• DSSTox Substance ID: DTXSID60578932
• Nikkaji Number: J1.260.620F
• Wikidata: Q82469279
• Mol file: 150433-17-3.mol

Synonyms:3-(2,4-DIMETHOXYPHENYL)-1H-PYRAZOLE;150433-17-3;5-(2,4-dimethoxyphenyl)-1H-pyrazole;3-(2,4-Dimethoxyphenyl)pyrazole;1H-Pyrazole, 3-(2,4-dimethoxyphenyl)-;SCHEMBL15657901;DTXSID60578932;HEQGATYGFKDZIA-UHFFFAOYSA-N;MFCD02091529;AKOS009463144;AS-63431;A884163

Chemical Property of 3-(2,4-Dimethoxyphenyl)-1H-pyrazole

Chemical Property:

• Vapor Pressure: 2.53E-05mmHg at 25°C
• Refractive Index: 1.564
• Boiling Point: 369.4°C at 760 mmHg
• PKA: 12.99±0.10(Predicted)
• Flash Point: 134.6°C
• PSA: 47.14000
• Density: 1.171g/cm³
• LogP: 2.09390
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 204.089877630
• Heavy Atom Count: 15
• Complexity: 201

Purity/Quality:

97% ^*data from raw suppliers

5-(2,4-Dimethoxyphenyl)-1H-pyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)C2=CC=NN2)OC

Technology Process of 3-(2,4-Dimethoxyphenyl)-1H-pyrazole

There total 1 articles about 3-(2,4-Dimethoxyphenyl)-1H-pyrazole 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:

2',4'-dimethoxyacetophenone (829-20-9) → 3-(2,4-dimethoxyphenyl)-1H-pyrazole (150433-17-3)

Guidance literature:

Multi-step reaction with 2 steps

1: neat (no solvent) / 12 h / Reflux

2: hydrazine hydrate / ethanol / 3 h / Reflux

With hydrazine hydrate; In ethanol;

DOI:10.1155/2019/2467970

Reference yield: 91.0%

1-bromo-2-(3-bromopropyl)benzene (1075-28-1) + 3-(2,4-dimethoxyphenyl)-1H-pyrazole (150433-17-3) → 1-[3-(2-bromophenyl)propyl]-3-(2,4-dimethoxyphenyl)-1H-pyrazole

Guidance literature:

3-(2,4-dimethoxyphenyl)-1H-pyrazole; With sodium hydride; In tetrahydrofuran; at 0 - 20 ℃; for 1h; Inert atmosphere; Schlenk technique;

1-bromo-2-(3-bromopropyl)benzene; In tetrahydrofuran; at 40 ℃; for 10h; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201804244

Reference yield: 67.0%

5-bromo-6-(3-bromopropyl)benzo[d-1,3]dioxole (75788-16-8) + 3-(2,4-dimethoxyphenyl)-1H-pyrazole (150433-17-3) → 1-[3-(6-bromobenzo[d-1,3]dioxol-5-yl)propyl]-3-(2,4-dimethoxyphenyl)-1H-pyrazole

Guidance literature:

3-(2,4-dimethoxyphenyl)-1H-pyrazole; With sodium hydride; In tetrahydrofuran; at 0 - 20 ℃; for 1h; Inert atmosphere; Schlenk technique;

5-bromo-6-(3-bromopropyl)benzo[d-1,3]dioxole; In tetrahydrofuran; at 40 ℃; for 10h; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201804244

upstream raw materials:

2',4'-dimethoxyacetophenone

Downstream raw materials:

methyl N-[[5-[3-(2,4-dimethoxyphenyl)-1H-pyrazol-1-yl]-2-methylphenyl]methyl]carbamate

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