Cas no 79673-53-3 (2-(1H-Pyrrol-2-yl)acetic Acid)

2-(1H-Pyrrol-2-yl)acetic Acid is a heterocyclic carboxylic acid featuring a pyrrole ring substituted with an acetic acid moiety. This compound serves as a versatile building block in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and functional materials. Its pyrrole core contributes to electron-rich properties, enabling participation in diverse coupling and condensation reactions. The acetic acid side chain enhances solubility in polar solvents and facilitates further derivatization, such as esterification or amidation. The compound's stability and well-defined reactivity make it valuable for constructing complex molecular architectures. It is commonly employed in medicinal chemistry for developing bioactive molecules due to its compatibility with standard synthetic methodologies.
2-(1H-Pyrrol-2-yl)acetic Acid structure
2-(1H-Pyrrol-2-yl)acetic Acid structure
Product Name:2-(1H-Pyrrol-2-yl)acetic Acid
CAS No:79673-53-3
MF:C6H7NO2
MW:125.125281572342
MDL:MFCD01993666
CID:556063
PubChem ID:4220146
Update Time:2025-06-07

2-(1H-Pyrrol-2-yl)acetic Acid Chemical and Physical Properties

Names and Identifiers

    • (1H-PYRROL-2-YL)-ACETIC ACID
    • 1H-Pyrrole-2-aceticacid
    • 2-(1H-pyrrol-2-yl)acetic acid
    • PYRROLE-2-ACETIC ACID
    • 1h-pyrrole-2-acetic acid
    • pyrrolacetic acid
    • azole acetic acid
    • 1H-pyrrol-2-ylacetic acid
    • GVUHUYQEAGMUNJ-UHFFFAOYSA-N
    • 2447AC
    • KM1986
    • TRA0098308
    • SY010732
    • EN001297
    • AB1010139
    • H57071
    • Z1578014257
    • Pyrrole-2-acetic acid (6CI)
    • (1H-Pyrrol-2-yl)acetic acid
    • (Pyrrol-2-yl)acetic acid
    • AS-31245
    • (1H-Pyrrol-2-yl)-acetic acid;Pyrrole-2-acetic Acid
    • DTXSID70400972
    • SB62439
    • AKOS000320659
    • CS-0343301
    • YSZC2861
    • EN300-91712
    • J-505370
    • A864823
    • 79673-53-3
    • MFCD01993666
    • Pyrrole-2-aceticAcid
    • SCHEMBL253592
    • (1H-PYRROL-2-YL)-ACETICACID
    • ALBB-026954
    • 2-(1H-Pyrrol-2-yl)acetic Acid
    • MDL： MFCD01993666
    • Inchi： 1S/C6H7NO2/c8-6(9)4-5-2-1-3-7-5/h1-3,7H,4H2,(H,8,9)
    • InChI Key： GVUHUYQEAGMUNJ-UHFFFAOYSA-N
    • SMILES： O=C(CC1NC=CC=1)O

Computed Properties

  • Exact Mass: 125.04800
  • Monoisotopic Mass: 125.048
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 114
  • 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: 53.1
  • XLogP3: 0.2

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.2±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 312.2℃ at 760 mmHg
  • Flash Point: 142.593℃
  • Refractive Index: 1.523
  • PSA: 53.09000
  • LogP: 0.64180
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

2-(1H-Pyrrol-2-yl)acetic Acid Security Information

2-(1H-Pyrrol-2-yl)acetic Acid Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-(1H-Pyrrol-2-yl)acetic Acid Pricemore >>

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2-(1H-Pyrrol-2-yl)acetic Acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Water
1.2 Reagents: Hydrochloric acid Solvents: Water
Reference
A one-step conversion of certain indole and pyrrole glyoxylic acid esters to the corresponding acetates
Demopoulos, Vassilis J., Synthetic Communications, 1989, 19(13-14), 2585-94

Production Method 2

Reaction Conditions
1.1 Reagents: Lithium hydroxide Solvents: Tetrahydrofuran ,  Water ;  3 h, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 2, rt
Reference
Synthesis of 5-Fluoro-dihydroindolizines from Pyrrole-2-acetic Acids and Trifluoromethyl Alkenes via Dual C-F Bond Cleavage in a CF3 Group
Sun, Zhengchang; et al, Journal of Organic Chemistry, 2022, 87(7), 4801-4812

Production Method 3

Reaction Conditions
1.1 Reagents: Methylmagnesium bromide Solvents: Tetrahydrofuran ;  30 min, -10 °C; -10 °C → rt; 30 min, rt; rt → 0 °C
1.2 0 °C → rt; 1 h, rt
1.3 Reagents: Ammonium chloride Solvents: Water ;  rt
2.1 Reagents: Lithium hydroxide Solvents: Tetrahydrofuran ,  Water ;  1.5 h, rt
2.2 Reagents: Hydrochloric acid Solvents: Water ;  neutralized, rt
Reference
An enantioselective synthesis of α-alkylated pyrroles via cooperative isothiourea/palladium catalysis
Rush Scaggs, W.; et al, Organic & Biomolecular Chemistry, 2019, 17(7), 1787-1790

Production Method 4

Reaction Conditions
1.1 Solvents: Acetone ;  0 °C; 6 h, 25 °C
2.1 Reagents: Lauroyl peroxide Solvents: 1,2-Dichloroethane ;  reflux; 5 h, reflux; 2 h, reflux
3.1 Reagents: Lithium hydroxide Solvents: Tetrahydrofuran ,  Water ;  3 h, rt
3.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 2, rt
Reference
Synthesis of 5-Fluoro-dihydroindolizines from Pyrrole-2-acetic Acids and Trifluoromethyl Alkenes via Dual C-F Bond Cleavage in a CF3 Group
Sun, Zhengchang; et al, Journal of Organic Chemistry, 2022, 87(7), 4801-4812

Production Method 5

Reaction Conditions
1.1 Reagents: Lithium hydroxide Solvents: Tetrahydrofuran ,  Water ;  1.5 h, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ;  neutralized, rt
Reference
An enantioselective synthesis of α-alkylated pyrroles via cooperative isothiourea/palladium catalysis
Rush Scaggs, W.; et al, Organic & Biomolecular Chemistry, 2019, 17(7), 1787-1790

Production Method 6

Reaction Conditions
1.1 Reagents: (±)-Propylene oxide ,  Sodium thiosulfate Catalysts: Tetrabutylammonium iodide Solvents: tert-Butyl methyl ether ;  10 min, rt; 36 h
Reference
A one-step radical synthesis of pyrrol-2-acetic acids
Byers, Jeffrey H.; et al, Tetrahedron Letters, 2003, 44(36), 6853-6855

Production Method 7

Reaction Conditions
1.1 Reagents: Dicyclohexylcarbodiimide Catalysts: Dimethylaminopyridine Solvents: Tetrahydrofuran ;  1 h, rt
1.2 24 h, rt
Reference
Liver tissue engineering via hyperbranched polypyrrole scaffolds
Hatamzadeh, Maryam; et al, International Journal of Polymeric Materials and Polymeric Biomaterials, 2020, 69(17), 1112-1122

Production Method 8

Reaction Conditions
1.1 Reagents: Lauroyl peroxide Solvents: 1,2-Dichloroethane ;  reflux; 5 h, reflux; 2 h, reflux
2.1 Reagents: Lithium hydroxide Solvents: Tetrahydrofuran ,  Water ;  3 h, rt
2.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 2, rt
Reference
Synthesis of 5-Fluoro-dihydroindolizines from Pyrrole-2-acetic Acids and Trifluoromethyl Alkenes via Dual C-F Bond Cleavage in a CF3 Group
Sun, Zhengchang; et al, Journal of Organic Chemistry, 2022, 87(7), 4801-4812

Production Method 9

Reaction Conditions
1.1 Reagents: Sodium hypophosphite Catalysts: Palladium Solvents: Isobutanol ,  Water
2.1 Reagents: Sodium hydroxide Solvents: Water
2.2 Reagents: Hydrochloric acid Solvents: Water
Reference
A one-step conversion of certain indole and pyrrole glyoxylic acid esters to the corresponding acetates
Demopoulos, Vassilis J., Synthetic Communications, 1989, 19(13-14), 2585-94

2-(1H-Pyrrol-2-yl)acetic Acid Raw materials

2-(1H-Pyrrol-2-yl)acetic Acid Preparation Products

2-(1H-Pyrrol-2-yl)acetic Acid Related Literature

79673-53-3 (2-(1H-Pyrrol-2-yl)acetic Acid) Related Products

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