3-(DIMETHOXYMETHYL)-1H-PYRAZOLE

Base Information

• Chemical Name: 3-(DIMETHOXYMETHYL)-1H-PYRAZOLE
• CAS No.: 111573-59-2
• Molecular Formula: C₆H₁₀N₂O₂
• Molecular Weight: 142.158
• Hs Code.: 2933199090
• Mol file: 111573-59-2.mol

Synonyms:1H-Pyrazole-3-carboxaldehydedimethyl acetal; 3-(Dimethoxymethyl)-1H-pyrazole

Chemical Property of 3-(DIMETHOXYMETHYL)-1H-PYRAZOLE

Chemical Property:

• Vapor Pressure: 0.136mmHg at 25°C
• Refractive Index: 1.4880
• Boiling Point: 224.5°Cat760mmHg
• PKA: 13.83±0.10(Predicted)
• Flash Point: 81.6°C
• PSA: 47.14000
• Density: 1.148g/cm³
• LogP: 0.70110
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-(Dimethoxymethyl)-1H-pyrazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(DIMETHOXYMETHYL)-1H-PYRAZOLE

There total 5 articles about 3-(DIMETHOXYMETHYL)-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: 82.0%

methanol (67-56-1) + 3-formylpyrazole (3920-50-1,209002-03-9) → pyrazole-3-carboxaldehyde dimethylacetal (111573-59-2,955892-12-3)

Guidance literature:

indium(III) triflate; at 50 ℃; for 12h;

DOI:10.1016/j.tet.2008.01.118

Reference yield: 67.0%

(E)-4-(dimethylamino)-1,1-dimethoxybut-3-en-2-one (67751-23-9,187242-85-9) → pyrazole-3-carboxaldehyde dimethylacetal (111573-59-2,955892-12-3)

Guidance literature:

With sodium hydroxide; hydrazinium sulfate; In water; at 20 ℃;

DOI:10.1016/j.tet.2008.06.014

Reference yield: 61.0%

Pyruvic aldehyde dimethyl acetal (6342-56-9) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → pyrazole-3-carboxaldehyde dimethylacetal (111573-59-2,955892-12-3)

Guidance literature:

Pyruvic aldehyde dimethyl acetal; N,N-dimethyl-formamide dimethyl acetal; for 3h; Reflux;

With hydrazine hydrate; at 40 ℃; for 18h;

DOI:10.1016/S1872-2067(15)61121-4

upstream raw materials:

4-(dimethylamino)-1,1-dimethoxy-but-3-en-2-one

Pyruvic aldehyde dimethyl acetal

methanol

3-formylpyrazole

Downstream raw materials:

C₂₂H₃₁N₃O₆S

5-(dimethoxymethyl)-1-[3-(phenylselanyl)propyl]-1H-pyrazole

3-formylpyrazole

Refernces

• 1、 Han, Baofeng,Xiao, Xiao,Wang, Lan,Ye, Wenjing,Liu, Xiaoping. "Highly active binuclear Cu(II) catalyst bearing an unsymmetrical bipyridine-pyrazole-amine ligand for the azide-alkyne cycloaddition reaction". . p. 1446 - 1450. Retrieved 2016/10/04.
• 2、 Allin, Steven M.,Barton, William R.S.,Russell Bowman,Bridge (née Mann), Emma,Elsegood, Mark R.J.,McInally, Tom,McKee, Vickie. "Bu3SnH-mediated radical cyclisation onto azoles". . p. 7745 - 7758. Retrieved 2008/12/21.