ethyl 1-ethyl-5-methyl-1H-pyrazole-3-carboxylate

Base Information

Chemical Name:ethyl 1-ethyl-5-methyl-1H-pyrazole-3-carboxylate
CAS No.:50920-45-1
Molecular Formula:C₉H₁₄N₂O₂
Molecular Weight:182.222
Hs Code.:
DSSTox Substance ID:DTXSID60585888
Wikidata:Q82477898
Mol file:50920-45-1.mol

Synonyms:ethyl 1-ethyl-5-methyl-1H-pyrazole-3-carboxylate;50920-45-1;ethyl 1-ethyl-5-methylpyrazole-3-carboxylate;SCHEMBL1234127;DTXSID60585888;UMXRSKKACFNPNO-UHFFFAOYSA-N;MFCD00159612;AKOS003673692;VS-01688;CS-0298238;EN300-231352;ethyl1-ethyl-5-methyl-1H-pyrazole-3-carboxylate;1-ethyl-5-methyl-1h-pyrazole-3-carboxylic acid ethyl ester

Suppliers and Price of ethyl 1-ethyl-5-methyl-1H-pyrazole-3-carboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of ethyl 1-ethyl-5-methyl-1H-pyrazole-3-carboxylate

Chemical Property:

XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:182.105527694
Heavy Atom Count:13
Complexity:185

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN1C(=CC(=N1)C(=O)OCC)C

Technology Process of ethyl 1-ethyl-5-methyl-1H-pyrazole-3-carboxylate

There total 2 articles about ethyl 1-ethyl-5-methyl-1H-pyrazole-3-carboxylate 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:

: 75-00-3
chloroethane

: 4027-57-0
ethyl 5-methyl-2H-pyrazole-3-carboxylate

: 50920-64-4
1-ethyl-3-methyl-5-pyrazolecarboxylic acid ethyl ester

: 50920-45-1
ethyl 1-ethyl-5-methylpyrazole-3-carboxylate

Guidance literature:: With tetrabutylammonium bromide; anhydrous sodium carbonate; In N,N-dimethyl-formamide; at 40 - 70 ℃; for 5h; Overall yield = 86 percent; Overall yield = 37.2 g;

Reference yield:

: 74-96-4
ethyl bromide

: 4027-57-0
ethyl 5-methyl-2H-pyrazole-3-carboxylate

: 50920-64-4
1-ethyl-3-methyl-5-pyrazolecarboxylic acid ethyl ester

: 50920-45-1
ethyl 1-ethyl-5-methylpyrazole-3-carboxylate

Guidance literature:: With tetrabutylammonium bromide; anhydrous sodium carbonate; In N,N-dimethyl-formamide; at 40 - 70 ℃; for 2h; Overall yield = 83 percent; Overall yield = 36 g;

Reference yield:

: 50920-45-1
ethyl 1-ethyl-5-methylpyrazole-3-carboxylate

: 1-ethyl-3-(N-mesitylimidazoliumylmethyl)-5-methylpyrazole hexafluorophosphate

Guidance literature:: Multi-step reaction with 3 steps

1: lithium aluminium tetrahydride / tetrahydrofuran / 4 h / 20 °C

2: thionyl chloride / dichloromethane / 2 h / 20 °C

3: toluene / Reflux

With lithium aluminium tetrahydride; thionyl chloride; In tetrahydrofuran; dichloromethane; toluene;
DOI:10.1002/ejic.201601116