Cas no 119647-84-6 (1H-Pyrrole-2-carboxylic acid, 4-benzoyl-, ethyl ester)

1H-Pyrrole-2-carboxylic acid, 4-benzoyl-, ethyl ester is a specialized organic compound featuring a pyrrole core substituted with a benzoyl group at the 4-position and an ethyl ester moiety at the 2-position. This structure makes it a valuable intermediate in synthetic organic chemistry, particularly in the development of pharmaceuticals, agrochemicals, and functional materials. The benzoyl group enhances reactivity for further derivatization, while the ethyl ester improves solubility in organic solvents, facilitating downstream reactions. Its well-defined molecular architecture allows for precise modifications, making it useful in heterocyclic synthesis and medicinal chemistry research. The compound is typically handled under controlled conditions due to its sensitivity to hydrolysis and light.
1H-Pyrrole-2-carboxylic acid, 4-benzoyl-, ethyl ester structure
119647-84-6 structure
Product Name:1H-Pyrrole-2-carboxylic acid, 4-benzoyl-, ethyl ester
CAS No:119647-84-6
MF:C14H13NO3
MW:243.257923841476
MDL:MFCD27956075
CID:1208651
PubChem ID:57435080
Update Time:2025-06-07

1H-Pyrrole-2-carboxylic acid, 4-benzoyl-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrole-2-carboxylic acid, 4-benzoyl-, ethyl ester
    • ethyl 4-benzoyl-1H-pyrrole-2-carboxylate
    • ethyl 4-benzoylpyrrole-2-carboxylate
    • AMY42501
    • 119647-84-6
    • ethyl4-benzoyl-1H-pyrrole-2-carboxylate
    • DB-370386
    • SCHEMBL1149883
    • F53804
    • MDL： MFCD27956075
    • Inchi： 1S/C14H13NO3/c1-2-18-14(17)12-8-11(9-15-12)13(16)10-6-4-3-5-7-10/h3-9,15H,2H2,1H3
    • InChI Key： AKGPFUFYYZPTQT-UHFFFAOYSA-N
    • SMILES： O(CC)C(C1=CC(C(C2C=CC=CC=2)=O)=CN1)=O

Computed Properties

  • Exact Mass: 243.09
  • Monoisotopic Mass: 243.09
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 310
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 59.2A^2
  • XLogP3: 2.6

1H-Pyrrole-2-carboxylic acid, 4-benzoyl-, ethyl ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
CHENG DOU FEI BO YI YAO Technology Co., Ltd.
FC13858-5g
ethyl 4-benzoyl-1H-pyrrole-2-carboxylate
 119647-84-6 95%
5g
 $1988 2023-09-07
eNovation Chemicals LLC
Y0996186-10g
ethyl 4-benzoyl-1H-pyrrole-2-carboxylate
 119647-84-6 95%
10g
 $1300 2024-08-02
eNovation Chemicals LLC
Y0996186-5g
ethyl 4-benzoyl-1H-pyrrole-2-carboxylate
 119647-84-6 95%
5g
 $2000 2025-02-19
eNovation Chemicals LLC
Y0996186-5g
ethyl 4-benzoyl-1H-pyrrole-2-carboxylate
 119647-84-6 95%
5g
 $2000 2025-02-27

1H-Pyrrole-2-carboxylic acid, 4-benzoyl-, ethyl ester Related Literature

Related Categories

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