1,5-Dimethyl-3-(phenylethynyl)-1H-pyrazole-4-carboxylic acid

Base Information

Chemical Name:1,5-Dimethyl-3-(phenylethynyl)-1H-pyrazole-4-carboxylic acid
CAS No.:79229-63-3
Molecular Formula:C14H12N2O2
Molecular Weight:240.261
Hs Code.:
DSSTox Substance ID:DTXSID40506935
Wikidata:Q82362915

Synonyms:79229-63-3;DTXSID40506935;1,5-Dimethyl-3-(phenylethynyl)-1H-pyrazole-4-carboxylic acid

Suppliers and Price of 1,5-Dimethyl-3-(phenylethynyl)-1H-pyrazole-4-carboxylic acid

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
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price

Total 1 raw suppliers

Chemical Property of 1,5-Dimethyl-3-(phenylethynyl)-1H-pyrazole-4-carboxylic acid

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:240.089877630
Heavy Atom Count:18
Complexity:376

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=NN1C)C#CC2=CC=CC=C2)C(=O)O

Technology Process of 1,5-Dimethyl-3-(phenylethynyl)-1H-pyrazole-4-carboxylic acid

There total 4 articles about 1,5-Dimethyl-3-(phenylethynyl)-1H-pyrazole-4-carboxylic acid 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: 98.8%

: 79229-70-2
1,5-dimethyl-3-phenylethynylpyrazole-4-carboxylic acid methyl ester

: 79229-63-3
1,5-dimethyl-3-phenylethynylpyrazole-4 carboxylic acid

Guidance literature:: With potassium hydroxide; In methanol; at 20 ℃;
DOI:10.1007/BF00950297

Reference yield: 43.9%

: 79229-70-2
1,5-dimethyl-3-phenylethynylpyrazole-4-carboxylic acid methyl ester

: 133053-63-1
2,3-dimethyl-6-phenyl-2,5-dihydropyrazolo[4,3-c]pyridin-4-one

: 79229-63-3
1,5-dimethyl-3-phenylethynylpyrazole-4 carboxylic acid

Guidance literature:: With hydroxylamine hydrochloride; sodium; In methanol; for 12h; Heating;
DOI:10.1016/j.tet.2004.09.104

Reference yield:

: 536-74-3
phenylacetylene

: 79229-63-3
1,5-dimethyl-3-phenylethynylpyrazole-4 carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 65 percent / CuI, Pd(PPh)3Cl₂ / diethylamine / 6 h / 50 °C

2: 98.8 percent / aq. KOH / methanol / 20 °C

With bis-triphenylphosphine-palladium(II) chloride; potassium hydroxide; copper(l) iodide; In methanol; diethylamine;
DOI:10.1007/BF00950297