Cas no 1459-96-7 (1,4-dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate)

1,4-Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate is a bicyclic diester compound characterized by its rigid, symmetrical structure derived from the bicyclo[2.2.2]octane framework. The presence of ester functionalities at the 1 and 4 positions enhances its utility as a versatile intermediate in organic synthesis, particularly for constructing complex molecular architectures. Its high steric rigidity and defined geometry make it valuable in applications requiring precise spatial control, such as ligand design or polymer modification. The compound's stability under various reaction conditions further supports its use in catalytic and material science research. Its synthetic accessibility and functional group compatibility contribute to its broad applicability in specialized chemical processes.
1,4-dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate structure
1459-96-7 structure
Product Name:1,4-dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate
CAS No:1459-96-7
MF:C12H18O4
MW:226.268924236298
MDL:MFCD01312167
CID:41407
PubChem ID:2802857
Update Time:2025-06-27

1,4-dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate Chemical and Physical Properties

Names and Identifiers

    • Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate
    • 4-ethyl-phenylacetic acid
    • Bicyclo[2.2.2]octane-1,4-dicarboxylic acid 1,4-dimethyl ester
    • Bicyclo<2.2.2>octan-1,4-dicarbonsaeure-dimethylester
    • dimethyl bicyclo<2.2.2>octane-1,4-dicarboxylate
    • iMethyl bicyclo[2.2.2]octane-1,4-dicarboxylate
    • Dimethyl bioyclo[2.2.2]octane-1,4-dicarboxylate
    • DiMethyl -bicyclo[2.2.2]octan-1,4-dicarboxylate
    • 2,2-diMethylbicyclo[2.2.2]octane-1,4-dicarboxylate
    • 1,4-dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate
    • Bicyclo[2.2.2]octane-1,4-dicarboxylic acid dimethyl ester
    • Bicyclo[2.2.2]octane-1,4-dicarboxylic acid, dimethyl ester
    • HDOVTVDGSLEUSK-UHFFFAOYSA-N
    • 7226AA
    • LS40776
    • AM84419
    • MB01765
    • NE17972
    • 1,4-dicarbomethoxybicyclo[2.2.2]octane
    • SY041256
    • AK-
    • dimethylbicyclo[2.2.2]octane-1,4-dicarboxylate
    • Z1427941564
    • SCHEMBL2445606
    • MFCD01312167
    • AKOS015950741
    • DTXSID20384379
    • EN300-109771
    • A808437
    • Bicyclo[2.2.2]octane-1,4-dicarboxylicacid, 1,4-dimethyl ester
    • AS-41599
    • 1459-96-7
    • FT-0654826
    • AC-25477
    • CS-W001269
    • Bicyclo[2.2.2]octane-1,4-dicarboxylic acid, 1,4-dimethyl ester
    • DB-063638
    • 810-235-8
    • 1,4-dimethyl bicyclo(2.2.2)octane-1,4-dicarboxylate
    • MDL： MFCD01312167
    • Inchi： 1S/C12H18O4/c1-15-9(13)11-3-6-12(7-4-11,8-5-11)10(14)16-2/h3-8H2,1-2H3
    • InChI Key： HDOVTVDGSLEUSK-UHFFFAOYSA-N
    • SMILES： O(C)C(C12CCC(C(=O)OC)(CC1)CC2)=O

Computed Properties

  • Exact Mass: 226.12100
  • Monoisotopic Mass: 226.12050905g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 265
  • 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: 52.6
  • XLogP3: 1.3

Experimental Properties

  • PSA: 52.60000
  • LogP: 1.67300

1,4-dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate Customs Data

  • HS CODE：2917209090
  • Customs Data：

    China Customs Code:

    2917209090

    Overview:

    HS:2917209090 other(Cycloalkane\Cycloene\Cyclic terpene)Polycarboxylic acid VAT:17.0% Tax refund rate:9.0% Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods) MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Terephthalic acid please specify4-CBAvalue, Terephthalic acid please specifyP-TLacid value, Terephthalic acid please indicate color, Terephthalic acid please indicate moisture

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food

    Summary:

    2917209090 other cyclanic, cyclenic or cyclotherpenic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives.supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward).VAT:17.0%.tax rebate rate:9.0%.MFN tariff:6.5%.general tariff:30.0%

1,4-dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Fluorochem
216335-250mg
Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate
 1459-96-7 95%
250mg
 ￡39.00 2022-03-01
Fluorochem
216335-1g
Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate
 1459-96-7 95%
1g
 ￡60.00 2022-03-01
Fluorochem
216335-5g
Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate
 1459-96-7 95%
5g
 ￡133.00 2022-03-01
Fluorochem
216335-25g
Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate
 1459-96-7 95%
25g
 ￡398.00 2022-03-01
Chemenu
CM104406-5g
1,4-dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate
 1459-96-7 97%
5g
 $242 2021-08-06
Chemenu
CM104406-10g
1,4-dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate
 1459-96-7 97%
10g
 $429 2021-08-06
Chemenu
CM104406-25g
1,4-dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate
 1459-96-7 97%
25g
 $759 2021-08-06
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
D828653-25g
dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate
 1459-96-7 95%
25g
 ￥2,986.00 2022-01-10
CHENG DOU FEI BO YI YAO Technology Co., Ltd.
FC12030-100g
dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate
 1459-96-7 95%
100g
 $618 2023-09-07
TRC
D472968-1g
Dimethyl Bicyclo[2.2.2]octane-1,4-dicarboxylate
 1459-96-7
1g
 $ 75.00 2022-06-05

1,4-dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:1459-96-7)dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate
Order Number:sfd13492
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:36
Price ($):discuss personally
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:1459-96-7)1,4-dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate
Order Number:A808437
Stock Status:in Stock
Quantity:50.0g/100.0g/250.0g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 04:48
Price ($):176.0/352.0/877.0

1,4-dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate Related Literature

Related Categories

Additional information on 1,4-dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate

Comprehensive Overview of 1,4-dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate (CAS No. 1459-96-7)

1,4-dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate (CAS No. 1459-96-7) is a bicyclic organic compound with significant applications in synthetic chemistry and material science. Its unique bicyclo[2.2.2]octane framework and ester functional groups make it a versatile intermediate for pharmaceuticals, agrochemicals, and advanced polymers. Researchers and industries are increasingly interested in this compound due to its structural rigidity and potential for creating high-performance materials.

The 1,4-dimethyl substitution pattern in this molecule enhances its stability and reactivity, making it suitable for cross-coupling reactions and catalysis. Recent studies highlight its role in developing sustainable chemistry solutions, aligning with the global push for green synthesis and eco-friendly materials. As industries seek alternatives to petroleum-based products, 1,4-dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate has emerged as a candidate for bio-based polymers and renewable feedstocks.

One of the most searched questions about this compound is: "What are the applications of 1,4-dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate in drug discovery?" The answer lies in its ability to serve as a scaffold for bioactive molecules. Its rigid structure mimics natural products, enabling the design of target-specific drugs with improved efficacy. Additionally, its dicarboxylate groups facilitate conjugation with other pharmacophores, expanding its utility in medicinal chemistry.

Another trending topic is the compound's role in advanced material science. With the rise of nanotechnology and smart materials, researchers are exploring how 1,4-dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate can contribute to self-healing polymers and high-strength composites. Its thermal stability and chemical resistance make it ideal for demanding applications in aerospace and electronics.

From a synthetic perspective, the compound's CAS No. 1459-96-7 is often searched in databases for purity standards and synthetic protocols. Laboratories prioritize high-purity grades to ensure reproducibility in organic synthesis and catalysis research. The growing demand for custom synthesis services further underscores its importance in specialty chemicals.

Environmental considerations are also driving interest in this compound. As regulations tighten around volatile organic compounds (VOCs), 1,4-dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate offers a low-VOC alternative for coatings and adhesives. Its compatibility with water-based formulations aligns with the shift toward sustainable industrial practices.

In summary, 1,4-dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate (CAS No. 1459-96-7) is a multifaceted compound with expanding applications across pharmaceuticals, materials science, and green chemistry. Its structural uniqueness and functional versatility position it as a valuable asset in modern research and industrial innovation.

1459-96-7 (1,4-dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate) Related Products

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:1459-96-7)dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate
sfd13492
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email
Amadis Chemical Company Limited
(CAS:1459-96-7)1,4-dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate
A808437
Purity:99%/99%/99%
Quantity:50.0g/100.0g/250.0g
Price ($):176.0/352.0/877.0
Email