3-(3,5-Dimethylpyrazol-1-yl)propanal

Base Information

• Chemical Name: 3-(3,5-Dimethylpyrazol-1-yl)propanal
• CAS No.: 947404-89-9
• Molecular Formula: C₈H₁₂N₂O
• Molecular Weight: 152.196
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID60405774
• Wikidata: Q82210480
• Mol file: 947404-89-9.mol

Synonyms:947404-89-9;3-(3,5-dimethyl-1H-pyrazol-1-yl)propanal;3-(3,5-dimethylpyrazol-1-yl)propanal;SCHEMBL2551012;DTXSID60405774;STK988516;AKOS003594724

Chemical Property of 3-(3,5-Dimethylpyrazol-1-yl)propanal

Chemical Property:

• PSA: 34.89000
• LogP: 1.08890
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 152.094963011
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

3-(3,5-dimethyl-1H-pyrazol-1-yl)propanalhydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NN1CCC=O)C

Technology Process of 3-(3,5-Dimethylpyrazol-1-yl)propanal

There total 1 articles about 3-(3,5-Dimethylpyrazol-1-yl)propanal 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: 85.0%

3,5-dimethyl-1H-pyrazole (67-51-6) + acrolein (107-02-8,25068-14-8) → 3-(3,5-dimethyl-1H-pyrazol-1-yl)propionaldehyde (947404-89-9)

Guidance literature:

In 1,4-dioxane; at 40 ℃;

DOI:10.1134/S1070428006120220

upstream raw materials:

3,5-dimethyl-1H-pyrazole

acrolein

Refernces

• 1、 Attaryan,Antanosyan,Kinoyan,Tamazyan,Panosyan,Matsoyan. "Structure of the products of acrolein reactions with pyrazoles". . p. 1868 - 1870. Retrieved 2007/10/03.