ethyl 4-ethynyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Base Information

Chemical Name:ethyl 4-ethynyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CAS No.:52649-03-3
Molecular Formula:C₁₁H₁₃NO₂
Molecular Weight:191.23
Hs Code.:2933990090
DSSTox Substance ID:DTXSID20356374
Nikkaji Number:J308.202D
Wikidata:Q82135676
Mol file:52649-03-3.mol

Synonyms:ethyl 4-ethynyl-3,5-dimethyl-1H-pyrrole-2-carboxylate;52649-03-3;DTXSID20356374;2,4-Dimethyl-3-ethynyl-1H-pyrrole-5-carboxylic acid ethyl ester;STL523053;AKOS006275396;SR-01000515855;SR-01000515855-1

Suppliers and Price of ethyl 4-ethynyl-3,5-dimethyl-1H-pyrrole-2-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

AccelPharmtech
4-ethynyl-3,5-dimethyl-1H-Pyrrole-2-carboxylicacidethylester 97.00%
5G
$ 5360.00

AccelPharmtech
4-ethynyl-3,5-dimethyl-1H-Pyrrole-2-carboxylicacidethylester 97.00%
1G
$ 3120.00

Total 0 raw suppliers

Chemical Property of ethyl 4-ethynyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Chemical Property:

PSA：42.09000
LogP:1.78950
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:191.094628657
Heavy Atom Count:14
Complexity:266

Purity/Quality:: 4-ethynyl-3,5-dimethyl-1H-Pyrrole-2-carboxylicacidethylester 97.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=C(C(=C(N1)C)C#C)C

Technology Process of ethyl 4-ethynyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

There total 4 articles about ethyl 4-ethynyl-3,5-dimethyl-1H-pyrrole-2-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: 94.0%

: 65613-22-1
4-(1-chloro-vinyl)-3,5-dimethyl-pyrrole-2-carboxylic acid ethyl ester

: 52649-03-3
ethyl 4-ethynyl-3,5-dimethylpyrrole-2-carboxylate

Guidance literature:: With potassium hydroxide; N,N-dimethyl-formamide; at 20 ℃; for 0.25h;

Reference yield:

: 131992-08-0
ethyl 4-<(acetoxyperchloryl)thallio>-3,5-dimethylpyrrole-2-carboxylate

: 1066-54-2
trimethylsilylacetylene

: 52649-03-3
ethyl 4-ethynyl-3,5-dimethylpyrrole-2-carboxylate

Guidance literature:: With sodium carbonate; potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; Yield given. Multistep reaction; 1) THF, r.t., 2) THF, Et₂O;

Reference yield:

: 2386-26-7
ethyl 4-acetyl-3,5-dimethylpyrrole-2-carboxylate

: 52649-03-3
ethyl 4-ethynyl-3,5-dimethylpyrrole-2-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 96 percent / POCl₃, N,N-dimethylformamide / 1 h / 40 °C

2: 94 percent / aq. KOH, N,N-dimethylformamide / 0.25 h / 20 °C

With potassium hydroxide; N,N-dimethyl-formamide; trichlorophosphate;