5-phenyl-1H-pyrrole-3-carboxylic Acid

Base Information

Chemical Name:5-phenyl-1H-pyrrole-3-carboxylic Acid
CAS No.:161958-62-9
Molecular Formula:C₁₁H₉NO₂
Molecular Weight:187.198
Hs Code.:
European Community (EC) Number:889-224-5
DSSTox Substance ID:DTXSID001286332
Nikkaji Number:J637.445J
Mol file:161958-62-9.mol

Synonyms:5-phenyl-1H-pyrrole-3-carboxylic Acid;161958-62-9;Acid secretion-IN-1;5-Phenyl-1H-pyrrole-3-carboxylicacid;2-Phenyl-1H-pyrrole-4-carboxylic acid;SCHEMBL23320060;DTXSID001286332;MFCD20640426;SB63986;BS-16073;HY-136301;CS-0127949;FT-0742847;EN300-116685;Z1262517085

Suppliers and Price of 5-phenyl-1H-pyrrole-3-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

Total 3 raw suppliers

Chemical Property of 5-phenyl-1H-pyrrole-3-carboxylic Acid

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:187.063328530
Heavy Atom Count:14
Complexity:211

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=CC(=CN2)C(=O)O

Technology Process of 5-phenyl-1H-pyrrole-3-carboxylic Acid

There total 12 articles about 5-phenyl-1H-pyrrole-3-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: 93.0%

: 161958-61-8
ethyl 5-phenyl-1H-pyrrole-3-carboxylate

: 161958-62-9
2-phenyl-1H-pyrrole-4-carboxylic acid

Guidance literature:: With sodium hydroxide; In ethanol; for 3h; Heating;
DOI:10.1080/00397919508013415

Reference yield: 56.7%

: 106762-04-3
methyl 2-phenyl-1H-pyrrole-4-carboxylate

: 161958-62-9
2-phenyl-1H-pyrrole-4-carboxylic acid

Guidance literature:: With water; sodium hydroxide; In methanol; at 75 ℃; for 16h;

Reference yield:

: 22984-74-3
Ethyl 2-cyano-4-oxo-4-phenylbutanoate

: 161958-62-9
2-phenyl-1H-pyrrole-4-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 80 percent / HCl / diethyl ether / 0 - 20 °C

2: 98 percent / H₂ / 10 percent Pd/C / ethanol / 20 °C / 3040 Torr

3: 85 percent / NaOH; H₂O / ethanol / 12 h / Heating

With hydrogenchloride; sodium hydroxide; water; hydrogen; 10% palladium on active carbon; In diethyl ether; ethanol; 1: Cyclization / 2: Dehalogenation / 3: Hydrolysis;
DOI:10.1016/S0014-827X(99)00061-0