4-butyryl-1H-pyrrole-2-carboxylic acid

Base Information

Chemical Name:4-butyryl-1H-pyrrole-2-carboxylic acid
CAS No.:111468-95-2
Molecular Formula:C9H11NO3
Molecular Weight:181.18900
Hs Code.:2933990090
DSSTox Substance ID:DTXSID80377449
Wikidata:Q82166668
Mol file:111468-95-2.mol

Synonyms:4-butyryl-1H-pyrrole-2-carboxylic acid;111468-95-2;4-butanoyl-1H-pyrrole-2-carboxylic Acid;DTXSID80377449;MFCD05663820;AKOS005071322;4-butyryl-1H-pyrrole-2-carboxylicacid;SB62471;8X-0719;J-514862

Suppliers and Price of 4-butyryl-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
Packaging
price

Matrix Scientific
4-Butyryl-1H-pyrrole-2-carboxylic acid >95%
1g
$ 603.00

Matrix Scientific
4-Butyryl-1H-pyrrole-2-carboxylic acid >95%
500mg
$ 486.00

Crysdot
4-Butyryl-1H-pyrrole-2-carboxylicacid 95+%
1g
$ 418.00

Total 3 raw suppliers

Chemical Property of 4-butyryl-1H-pyrrole-2-carboxylic acid

Chemical Property:

Melting Point:191-193°C
Boiling Point:416.0±30.0 °C(Predicted)
PKA:3.82±0.10(Predicted)
PSA：70.16000
Density:1.251±0.06 g/cm3(Predicted)
LogP:1.69570
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:181.07389321
Heavy Atom Count:13
Complexity:215

Purity/Quality:

97% ^*data from raw suppliers

4-Butyryl-1H-pyrrole-2-carboxylic acid >95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC(=O)C1=CNC(=C1)C(=O)O

Technology Process of 4-butyryl-1H-pyrrole-2-carboxylic acid

There total 2 articles about 4-butyryl-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: 79.0%

: 111468-91-8
4-butyryl-2-(trichloroacetyl)pyrrole

: 111468-95-2
4-butyryl-2-pyrrolecarboxylic acid

Guidance literature:: With sodium hydroxide; for 1h; Heating;
DOI:10.1021/jo00237a032

Reference yield:

: 35302-72-8
pyrrol-2-yl trichloromethyl ketone

: 111468-95-2
4-butyryl-2-pyrrolecarboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / AlCl₃ / CH₂Cl₂; nitromethane / 18 h / -20 °C

2: 79 percent / 20percent aq. NaOH / 1 h / Heating

With sodium hydroxide; aluminium trichloride; In nitromethane; dichloromethane;
DOI:10.1021/jo00237a032