Cas no 63675-25-2 (5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid)

5-Oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid is a pyrrolidine-based carboxylic acid derivative featuring a 2,4,6-trimethylphenyl substituent. This compound is of interest in synthetic organic chemistry due to its structural versatility, serving as a valuable intermediate in the preparation of more complex heterocyclic systems. The presence of both a carboxylic acid and a ketone functional group allows for further derivatization, enabling applications in pharmaceutical and agrochemical research. Its sterically hindered aromatic moiety may contribute to enhanced stability and selectivity in certain reactions. The compound's well-defined structure and functional group compatibility make it a useful building block for medicinal chemistry and material science applications.
5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid structure
63675-25-2 structure
Product Name:5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid
CAS No:63675-25-2
MF:C14H17NO3
MW:247.289684057236
MDL:MFCD02737958
CID:519410
PubChem ID:2911603
Update Time:2025-06-27

5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Pyrrolidinecarboxylicacid, 5-oxo-1-(2,4,6-trimethylphenyl)-
    • 5-OXO-1-(2,4,6-TRIMETHYL-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID
    • 5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid
    • 1-mesityl-5-oxopyrrolidine-3-carboxylic acid
    • F0920-1483
    • AKOS016041020
    • 5-oxo-1-(2,4,6-trimethyl-phenyl)-pyrrolidine-3-carboxylic acid, AldrichCPR
    • STL096187
    • DTXSID30387775
    • DB-296263
    • EN300-33684
    • SCHEMBL8222937
    • BS-4589
    • Oprea1_397617
    • Oprea1_161734
    • 1-(2,4,6-trimethylphenyl)-4-carboxy-2-pyrrolidinone
    • VU0417783-2
    • 1-mesityl-5-oxopyrrolidine-3-carboxylicacid
    • AB00117173-01
    • MFCD02737958
    • Z285224172
    • 63675-25-2
    • AKOS000157992
    • G19342
    • MDL: MFCD02737958
    • Inchi: 1S/C14H17NO3/c1-8-4-9(2)13(10(3)5-8)15-7-11(14(17)18)6-12(15)16/h4-5,11H,6-7H2,1-3H3,(H,17,18)
    • InChI Key: AXLGQTRQNJDIMJ-UHFFFAOYSA-N
    • SMILES: O=C1CC(C(=O)O)CN1C1C(C)=CC(C)=CC=1C

Computed Properties

  • Exact Mass: 247.12100
  • Monoisotopic Mass: 247.121
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 343
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 57.6?2

Experimental Properties

  • Boiling Point: 540.9°C at 760 mmHg
  • Flash Point: 280.9°C
  • PSA: 57.61000
  • LogP: 2.11430

5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid Security Information

  • Hazard Category Code: 22
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid Customs Data

  • HS CODE:2933790090
  • Customs Data:

    China Customs Code:

    2933790090

    Overview:

    2933790090 Other lactams. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:9.0% 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:

    2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0%

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5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:63675-25-2)5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid
Order Number:A1089103
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 19:34
Price ($):310.0

Additional information on 5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid

5-Oxo-1-(2,4,6-Trimethylphenyl)Pyrrolidine-3-Carboxylic Acid (CAS No. 63675-25-2)

5-Oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid is a compound with the CAS registry number 63675-25-2. This compound belongs to the class of pyrrolidine derivatives, which are widely studied in organic chemistry due to their unique structural and functional properties. The molecule features a pyrrolidine ring system with a ketone group at the 5-position and a carboxylic acid group at the 3-position. Additionally, the 1-position of the pyrrolidine ring is substituted with a 2,4,6-trimethylphenyl group, which introduces steric and electronic effects that influence the compound's reactivity and biological activity.

The pyrrolidine ring is a five-membered nitrogen-containing heterocycle that is commonly found in various natural products and synthetic compounds. The presence of the oxo group (ketone) at position 5 imparts additional functionality to the molecule, making it a potential candidate for various chemical transformations. The carboxylic acid group at position 3 adds acidity and can participate in hydrogen bonding, which is crucial for its interactions in biological systems.

Recent studies have highlighted the importance of pyrrolidine derivatives in drug discovery and development. For instance, researchers have explored the role of these compounds as potential inhibitors of enzymes involved in metabolic pathways. The trimethylphenyl substituent in this compound provides a bulky aromatic system that can enhance lipophilicity and improve bioavailability when incorporated into drug candidates.

In terms of synthesis, 5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid can be prepared through various routes, including cyclocondensation reactions or by modifying existing pyrrolidine frameworks. The choice of synthetic pathway depends on the availability of starting materials and the desired stereochemistry of the product.

From an application standpoint, this compound has shown promise in several areas. Its ability to act as an intermediate in organic synthesis makes it valuable for constructing more complex molecules. Furthermore, its structural features suggest potential applications in materials science, particularly in the development of polymers or advanced materials with tailored properties.

Recent advancements in computational chemistry have enabled researchers to model the electronic structure and reactivity of 5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid with high precision. These studies provide insights into its interaction with biological targets and guide further optimization for therapeutic use.

In conclusion, 5-Oxo-1-(2,4,6-trimethylphenyl)Pyrrolidine-3-Carboxylic Acid (CAS No. 63675-25-2) is a versatile compound with significant potential in both academic research and industrial applications. Its unique structure and functional groups make it a valuable tool for exploring new chemical reactions and developing innovative solutions across diverse fields.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:63675-25-2)5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid
A1089103
Purity:99%
Quantity:5g
Price ($):310.0
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