3,4-Diethyl-1H-pyrrole-2-carboxylic acid

Base Information

Chemical Name:3,4-Diethyl-1H-pyrrole-2-carboxylic acid
CAS No.:157873-93-3
Molecular Formula:C₉H₁₃NO₂
Molecular Weight:167.208
Hs Code.:
DSSTox Substance ID:DTXSID20571944
Nikkaji Number:J966.890J
Wikidata:Q82460141
Mol file:157873-93-3.mol

Synonyms:3,4-Diethyl-1H-pyrrole-2-carboxylic acid;157873-93-3;1H-Pyrrole-2-carboxylicacid,3,4-diethyl-(9CI);1H-Pyrrole-2-carboxylic acid, 3,4-diethyl-;SCHEMBL4268684;DTXSID20571944;3,4-Diethyl-1H-pyrrole-2-carboxylicacid;1H-PYRROLE-2-CARBOXYLIC ACID,3,4-DIETHYL-

Suppliers and Price of 3,4-Diethyl-1H-pyrrole-2-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 5 raw suppliers

Chemical Property of 3,4-Diethyl-1H-pyrrole-2-carboxylic acid

Chemical Property:

Boiling Point:302.3±30.0 °C(Predicted)
PKA:1.61±0.10(Predicted)
PSA：53.09000
Density:1.145±0.06 g/cm3(Predicted)
LogP:1.83770
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:167.094628657
Heavy Atom Count:12
Complexity:170

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1=CNC(=C1CC)C(=O)O

Technology Process of 3,4-Diethyl-1H-pyrrole-2-carboxylic acid

There total 2 articles about 3,4-Diethyl-1H-pyrrole-2-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: 88.0%

: 97336-41-9
ethyl 3,4-diethyl-1H-pyrrole-2-carboxylate

: 157873-93-3
3,4-diethyl-1H-pyrrole-2-carboxylic acid

Guidance literature:: With sodium hydroxide; In ethanol; water; Heating;
DOI:10.1016/j.tet.2007.08.041

Reference yield:

: 3750-83-2
4-acetoxy-3-nitrohexane

: 157873-93-3
3,4-diethyl-1H-pyrrole-2-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 81 percent / potassium carbonate / tetrahydrofuran; ethanol / 72 h / 20 °C

2: 88 percent / NaOH / ethanol; H₂O / Heating

With sodium hydroxide; potassium carbonate; In tetrahydrofuran; ethanol; water;
DOI:10.1016/j.tet.2007.08.041