4-methoxy-1H-pyrazole

Base Information

• Chemical Name: 4-methoxy-1H-pyrazole
• CAS No.: 14884-01-6
• Molecular Formula: C4H6N2O
• Molecular Weight: 98.1044
• DSSTox Substance ID: DTXSID50415948
• Nikkaji Number: J1.510.909B
• Wikidata: Q82225037
• Mol file: 14884-01-6.mol

Synonyms:4-methoxy-1H-pyrazole;14884-01-6;1H-Pyrazole, 4-methoxy-;4-methoxypyrazole;MFCD22394063;4-methoxy-pyrazole;AMY1889;DTXSID50415948;NCFMDIJKEYGCRD-UHFFFAOYSA-N;SB40548;AS-57888;SY100279;CS-0050823;FT-0743226;EN300-205144;A902518;A1-08556;InChI=1/C4H6N2O/c1-7-4-2-5-6-3-4/h2-3H,1H3,(H,5,6

Chemical Property of 4-methoxy-1H-pyrazole

Chemical Property:

• Boiling Point: 95-96 °C(Press: 0.2 Torr)
• PKA: 15.51±0.50(Predicted)
• PSA: 37.91000
• Density: 1.154±0.06 g/cm3(Predicted)
• LogP: 0.41830
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 98.048012819
• Heavy Atom Count: 7
• Complexity: 57.7

Purity/Quality:

97% ^*data from raw suppliers

4-methoxy-1H-pyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CNN=C1

Technology Process of 4-methoxy-1H-pyrazole

There total 5 articles about 4-methoxy-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: 100.0%

1-benzyl-4-methoxy-1H-pyrazole (1218994-43-4) → 4-methoxy-pyrazole (14884-01-6)

Guidance literature:

With hydrogenchloride; hydrogen; palladium(II) hydroxide; In methanol; at 20 ℃; for 36h;

Reference yield: 77.0%

3(5)-trimethylsilyl-4-methoxypyrazole → 4-methoxy-pyrazole (14884-01-6)

Guidance literature:

With hydrogenchloride; In methanol; for 288h; Heating;

Reference yield: 63.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + methoxyacetaldehyde dimethylacetal (24332-20-5) → 4-methoxy-pyrazole (14884-01-6)

Guidance literature:

methoxyacetaldehyde dimethylacetal; With phosphorus pentachloride; at 0 - 20 ℃; for 0.5h;

N,N-dimethyl-formamide; at 0 - 55 ℃; for 1h;

With hydrazine hydrate; In ethanol; for 3h; Inert atmosphere;

upstream raw materials:

diazomethane

ethynyl methyl ether

1-benzyl-4-methoxy-1H-pyrazole

N,N-dimethyl-formamide

Downstream raw materials:

C₂₂H₂₀ClFN₆O₃S₂