Cas no 465-48-5 (4,7,7-trimethyl-3-oxo-2-oxabicyclo2.2.1heptane-1-carboxylic acid)

4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid is a bicyclic lactone carboxylic acid derivative with a rigid molecular structure, offering unique reactivity and stereochemical properties. Its fused ring system and functional groups make it a valuable intermediate in organic synthesis, particularly for constructing complex heterocycles or chiral frameworks. The compound’s stability and defined stereochemistry are advantageous for applications in pharmaceuticals, agrochemicals, and specialty materials. Its ketone and carboxylic acid moieties provide versatile sites for further derivatization, enabling selective modifications. This compound is particularly useful in asymmetric synthesis and catalysis due to its constrained geometry, which can influence reaction selectivity and yield.
4,7,7-trimethyl-3-oxo-2-oxabicyclo2.2.1heptane-1-carboxylic acid structure
465-48-5 structure
Product Name:4,7,7-trimethyl-3-oxo-2-oxabicyclo2.2.1heptane-1-carboxylic acid
CAS No:465-48-5
MF:C10H14O4
MW:198.215763568878
CID:1522564
PubChem ID:114518
Update Time:2025-06-08

4,7,7-trimethyl-3-oxo-2-oxabicyclo2.2.1heptane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-
    • 4,7,7-trimethyl-3-oxo-2-oxabicyclo2.2.1heptane-1-carboxylic acid
    • 67111-66-4
    • AKOS016039173
    • ACon1_002119
    • AC-10645
    • (-)-Camphanic acid
    • NCGC00179813-01
    • LS-13822
    • J-640460
    • 13429-83-9
    • EINECS 236-552-6
    • Oprea1_006313
    • NS00055246
    • J-006512
    • AKOS000267800
    • EN300-105575
    • MEGxp0_001716
    • 4,7,7-Trimethyl(2-oxabicyclo(2.2.1)hept-1-yl)carboxylic acid
    • 465-48-5
    • SY066703
    • 4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylicacid
    • DB-054987
    • (1S)-(-)-Camphanic acid
    • STK973610
    • SCHEMBL98457
    • DTXSID80928556
    • CHEBI:181470
    • 4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
    • Oprea1_101638
    • MDL: MFCD02179756
    • Inchi: 1S/C10H14O4/c1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13/h4-5H2,1-3H3,(H,11,12)
    • InChI Key: KPWKPGFLZGMMFX-UHFFFAOYSA-N
    • SMILES: O1C(C2(C)CCC1(C(=O)O)C2(C)C)=O

Computed Properties

  • Exact Mass: 198.08922
  • Monoisotopic Mass: 198.08920892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 333
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 63.6?2

Experimental Properties

  • PSA: 63.6

4,7,7-trimethyl-3-oxo-2-oxabicyclo2.2.1heptane-1-carboxylic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-105575-0.05g
4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
465-48-5 95%
0.05g
$36.0 2023-10-28
Enamine
EN300-105575-0.1g
4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
465-48-5 95%
0.1g
$38.0 2023-10-28
Enamine
EN300-105575-0.25g
4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
465-48-5 95%
0.25g
$40.0 2023-10-28
Enamine
EN300-105575-0.5g
4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
465-48-5 95%
0.5g
$41.0 2023-10-28
Enamine
EN300-105575-1.0g
4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
465-48-5
1g
$43.0 2023-06-10
Enamine
EN300-105575-2.5g
4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
465-48-5 95%
2.5g
$79.0 2023-10-28
Enamine
EN300-105575-5.0g
4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
465-48-5
5g
$135.0 2023-06-10
Enamine
EN300-105575-10.0g
4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
465-48-5
10g
$250.0 2023-06-10
Enamine
EN300-105575-1g
4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
465-48-5 95%
1g
$43.0 2023-10-28
Enamine
EN300-105575-5g
4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
465-48-5 95%
5g
$135.0 2023-10-28

Additional information on 4,7,7-trimethyl-3-oxo-2-oxabicyclo2.2.1heptane-1-carboxylic acid

Introduction to 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid (CAS No. 465-48-5)

4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid, identified by its Chemical Abstracts Service (CAS) number 465-48-5, is a compound of significant interest in the field of organic chemistry and pharmaceutical research. This bicyclic ketone derivative possesses a unique structural framework that has garnered attention for its potential applications in medicinal chemistry and synthetic methodologies.

The molecular structure of 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid consists of a seven-membered oxygen-containing heterocycle fused with a ketone group, further substituted with three methyl groups at the 4th, 7th, and 7th positions respectively. This intricate arrangement imparts distinct chemical properties that make it a valuable intermediate in the synthesis of more complex molecules.

In recent years, the study of such oxygen-rich heterocycles has seen considerable advancement due to their prevalence in bioactive natural products and their utility as scaffolds in drug discovery. The presence of both carbonyl and lactone functionalities in 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid provides multiple points for chemical modification, enabling the construction of diverse pharmacophores.

One of the most compelling aspects of this compound is its role as a precursor in the synthesis of bioactive molecules. Researchers have leveraged its structural motif to develop novel inhibitors targeting various biological pathways. For instance, derivatives of 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid have been explored as potential candidates for their interaction with enzymes involved in metabolic disorders and inflammatory responses.

The synthetic accessibility of 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid has also contributed to its widespread use in academic and industrial laboratories. Its preparation typically involves cyclization reactions that highlight the versatility of bicyclic systems in organic synthesis. The compound’s stability under various reaction conditions further enhances its appeal as a synthetic building block.

Recent studies have demonstrated the utility of 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid in the development of novel therapeutic agents. For example, modifications to its lactone ring have led to the discovery of compounds with promising anti-inflammatory properties. These findings underscore the importance of structural diversity in medicinal chemistry and the potential of heterocyclic compounds like 4,7,7-trimethyl-3-oxyobromo bromo

The pharmacokinetic profile of derivatives derived from 4,7,7-trimethyl-3-oxy-

The pharmacokinetic profile<<<<<<<<<<|

Recommended suppliers
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hangzhou Cedareal Technology Co., Ltd.
Changzhou Guanjia Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Changzhou Guanjia Chemical Co., Ltd
上海嶸奧生物技術(shù)有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
上海嶸奧生物技術(shù)有限公司
SunaTech Inc.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
SunaTech Inc.
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Genelee Bio-Technology Co., Ltd.