Cas no 496052-34-7 (2,5-dihydro-1H-pyrrole-1-carbonyl chloride)

2,5-Dihydro-1H-pyrrole-1-carbonyl chloride is a reactive acyl chloride derivative primarily used as a versatile intermediate in organic synthesis. Its strained five-membered dihydropyrrole ring and highly electrophilic carbonyl chloride group make it valuable for introducing the 2,5-dihydro-1H-pyrrole-1-carbonyl moiety into target molecules. This compound is particularly useful in peptide coupling reactions, heterocyclic chemistry, and the synthesis of pharmacologically active compounds. Its reactivity allows for efficient acylation of nucleophiles such as amines and alcohols under mild conditions. Proper handling under inert atmospheres is recommended due to its moisture sensitivity. The compound is typically employed in controlled environments to maximize yield and purity in synthetic applications.
2,5-dihydro-1H-pyrrole-1-carbonyl chloride structure
496052-34-7 structure
Product Name:2,5-dihydro-1H-pyrrole-1-carbonyl chloride
CAS No:496052-34-7
MF:C5H6ClNO
MW:131.560240268707
MDL:MFCD30639765
CID:1524419
PubChem ID:12035568
Update Time:2025-06-13

2,5-dihydro-1H-pyrrole-1-carbonyl chloride Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrole-1-carbonyl chloride, 2,5-dihydro-
    • 2,5-dihydro-1H-pyrrole-1-carbonyl chloride
    • 496052-34-7
    • EN300-3425558
    • MDL: MFCD30639765
    • Inchi: 1S/C5H6ClNO/c6-5(8)7-3-1-2-4-7/h1-2H,3-4H2
    • InChI Key: DECGMPZXVISYSF-UHFFFAOYSA-N
    • SMILES: ClC(N1CC=CC1)=O

Computed Properties

  • Exact Mass: 131.01388
  • Monoisotopic Mass: 131.0137915g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 124
  • 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
  • XLogP3: 1
  • Topological Polar Surface Area: 20.3?2

Experimental Properties

  • PSA: 20.31

2,5-dihydro-1H-pyrrole-1-carbonyl chloride Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-3425558-0.05g
2,5-dihydro-1H-pyrrole-1-carbonyl chloride
496052-34-7 95.0%
0.05g
$232.0 2025-03-18
Enamine
EN300-3425558-0.1g
2,5-dihydro-1H-pyrrole-1-carbonyl chloride
496052-34-7 95.0%
0.1g
$347.0 2025-03-18
Enamine
EN300-3425558-0.25g
2,5-dihydro-1H-pyrrole-1-carbonyl chloride
496052-34-7 95.0%
0.25g
$494.0 2025-03-18
Enamine
EN300-3425558-0.5g
2,5-dihydro-1H-pyrrole-1-carbonyl chloride
496052-34-7 95.0%
0.5g
$780.0 2025-03-18
Enamine
EN300-3425558-1.0g
2,5-dihydro-1H-pyrrole-1-carbonyl chloride
496052-34-7 95.0%
1.0g
$999.0 2025-03-18
Enamine
EN300-3425558-2.5g
2,5-dihydro-1H-pyrrole-1-carbonyl chloride
496052-34-7 95.0%
2.5g
$1959.0 2025-03-18
Enamine
EN300-3425558-5.0g
2,5-dihydro-1H-pyrrole-1-carbonyl chloride
496052-34-7 95.0%
5.0g
$2900.0 2025-03-18
Enamine
EN300-3425558-10.0g
2,5-dihydro-1H-pyrrole-1-carbonyl chloride
496052-34-7 95.0%
10.0g
$4299.0 2025-03-18
Enamine
EN300-3425558-1g
2,5-dihydro-1H-pyrrole-1-carbonyl chloride
496052-34-7 95%
1g
$999.0 2023-09-03
Enamine
EN300-3425558-5g
2,5-dihydro-1H-pyrrole-1-carbonyl chloride
496052-34-7 95%
5g
$2900.0 2023-09-03

Additional information on 2,5-dihydro-1H-pyrrole-1-carbonyl chloride

Comprehensive Overview of 2,5-Dihydro-1H-pyrrole-1-carbonyl chloride (CAS No. 496052-34-7)

2,5-Dihydro-1H-pyrrole-1-carbonyl chloride (CAS No. 496052-34-7) is a specialized organic compound widely recognized in the field of pharmaceutical intermediates and fine chemical synthesis. This compound belongs to the class of pyrrole derivatives, which are pivotal in the development of bioactive molecules, including drug candidates and agrochemicals. Its unique carbonyl chloride functional group makes it a versatile reagent for amide bond formation, a critical step in peptide synthesis and polymer chemistry.

The growing demand for high-purity intermediates in the pharmaceutical industry has spotlighted compounds like 2,5-dihydro-1H-pyrrole-1-carbonyl chloride. Researchers and manufacturers frequently search for reliable synthesis methods, safety data, and application case studies related to this compound. Recent trends in green chemistry have also driven interest in eco-friendly derivatization techniques, making this compound a subject of innovation in sustainable chemical processes.

One of the most searched questions about 496052-34-7 revolves around its stability under different conditions. Studies indicate that this compound should be stored in anhydrous environments to prevent hydrolysis, a common concern for acyl chlorides. Additionally, its reactivity with nucleophiles like amines and alcohols is a key focus for organic chemists designing novel heterocyclic frameworks.

In the context of drug discovery, 2,5-dihydro-1H-pyrrole-1-carbonyl chloride serves as a building block for N-heterocyclic scaffolds, which are prevalent in FDA-approved drugs. Its role in covalent inhibitor design has gained attention, particularly in kinase-targeted therapies and proteolysis-targeting chimeras (PROTACs). These applications align with the rising popularity of precision medicine and targeted drug delivery systems.

From an industrial perspective, scalability and cost-effective production of 496052-34-7 are frequently discussed topics. Advanced continuous flow chemistry techniques have been explored to optimize its synthesis, reducing waste and improving yield—a response to the circular economy demands in the chemical sector.

For analytical chemists, the characterization of 2,5-dihydro-1H-pyrrole-1-carbonyl chloride via NMR spectroscopy and mass spectrometry is essential. The compound’s distinct spectral fingerprints facilitate its identification in complex reaction mixtures, a topic often queried in academic forums and patent literature.

In summary, CAS No. 496052-34-7 represents a critical tool in modern organic synthesis, bridging gaps between small-molecule research and industrial applications. Its relevance in cutting-edge therapeutics and alignment with sustainability goals ensures its continued prominence in scientific discourse.

Recommended suppliers
Yunnanjiuzhen
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen
煙臺朗裕新材料科技有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.