Cas no 17673-68-6 (dimethyl trans-cyclohex-4-ene-1,2-dioate; dimethyl trans-d4-tetrahydrophthalate)

Dimethyl trans-cyclohex-4-ene-1,2-dioate and its deuterated analog, dimethyl trans-d4-tetrahydrophthalate, are high-purity cyclic diesters with applications in organic synthesis and isotopic labeling studies. These compounds serve as versatile intermediates in the preparation of functionalized cyclohexene derivatives and deuterated analogs for mechanistic investigations. The trans-configuration ensures stereochemical consistency, while the deuterated variant (d4) provides a useful tool for kinetic and metabolic studies via mass spectrometry or NMR. Both compounds exhibit excellent stability and are suitable for fine chemical synthesis, offering precise control in reactions where regioselectivity and isotopic labeling are critical. Their well-defined structures make them valuable for pharmaceutical and materials research.
dimethyl trans-cyclohex-4-ene-1,2-dioate; dimethyl trans-d4-tetrahydrophthalate structure
17673-68-6 structure
Product Name:dimethyl trans-cyclohex-4-ene-1,2-dioate; dimethyl trans-d4-tetrahydrophthalate
CAS No:17673-68-6
MF:C10H14O4
MW:198.215763568878
MDL:MFCD11042672
CID:236634
PubChem ID:87560475
Update Time:2025-05-25

dimethyl trans-cyclohex-4-ene-1,2-dioate; dimethyl trans-d4-tetrahydrophthalate Chemical and Physical Properties

Names and Identifiers

    • Dimethyl trans-4-Cyclohexene-1,2-dicarboxylate
    • 4-Cyclohexene-1,2-dicarboxylicacid, dimethyl ester, trans- (8CI,9CI)
    • dimethyl (1R,6R)-cyclohex-3-ene-1,6-dicarboxylate
    • dimethyl 1,2,3,6-tetrahydrophthalate
    • dimethyl trans-1,2,3,4-tetrahydrophthalate
    • trans 1,2-dicarbomethoxy-4-cyclohexene
    • trans dimethyl 1,2,3,6-tetrahydrophthalate
    • trans-4-Cyclohexene-1,2-dicarboxylic Acid Dimethyl Ester
    • trans-dimethyl 4-cyclohexene-1,2-dicarboxylate
    • Nsc76295
    • dimethyl trans-d4-tetrahydrophthalate
    • dimethyl trans-cyclohex-4-ene-1,2-dioate
    • (R,R)-Cyclohex-4-ene-1,2-dicarboxylic acid
    • rel-(1R*,2R*)-4-Cyclohexene-1,2-dicarboxylic acid dimethyl ester
    • dimethyl (1R,2R)-cyclohex-4-ene-1,2-dicarboxylate
    • dimethyl trans-cyclohex-4-ene-1,2-dioate; dimethyl trans-d4-tetrahydrophthalate
    • dimethyl(1r,2r)-cyclohex-4-ene-1,2-dicarboxylate
    • ZB011825
    • trans-dimethyl cyclohexene-4,5-dicarboxylate
    • Dim
    • trans-Dimethylcyclohex-4-ene-1,2-dicarboxylate
    • J-803011
    • dimethyl rac-(1R,2R)-cyclohex-4-ene-1,2-dicarboxylate
    • AMY35213
    • SCHEMBL8246813
    • MFCD11042672
    • P15476
    • dimethyl trans-cyclohex-4-ene-1,2-dioate dimethyl trans-d4-tetrahydrophthalate
    • trans-Dimethyl cyclohex-4-ene-1,2-dicarboxylate
    • A812255
    • Dimethyl trans-4-cyclohexane-1,2-dicarboxylate
    • AKOS027252931
    • 4-Cyclohexene-1,2-dicarboxylic acid, 1,2-dimethyl ester, (1R,2R)-rel-
    • Dimethyl(1R,6R)-cyclohex-3-ene-1,6-dicarboxylate
    • NSC-76295
    • 17673-68-6
    • CS-0049614
    • (1R,2R)-cyclohex-4-ene-1,2-dicarboxylic acid dimethyl ester
    • G88044
    • DVVAGRMJGUQHLI-HTQZYQBOSA-N
    • 150024-72-9
    • DB-254489
    • MDL: MFCD11042672
    • Inchi: 1S/C10H14O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-4,7-8H,5-6H2,1-2H3/t7-,8-/m1/s1
    • InChI Key: DVVAGRMJGUQHLI-HTQZYQBOSA-N
    • SMILES: O(C)C([C@@H]1CC=CC[C@H]1C(=O)OC)=O

Computed Properties

  • Exact Mass: 198.08900
  • Monoisotopic Mass: 198.089
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 231
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 52.6
  • XLogP3: 1.1

Experimental Properties

  • Density: 1.13
  • Boiling Point: 119°C/8.5mmHg(lit.)
  • Flash Point: 121.8°C
  • Refractive Index: -140 ° (C=1.49, CHCl3)
  • PSA: 52.60000
  • LogP: 0.91480

dimethyl trans-cyclohex-4-ene-1,2-dioate; dimethyl trans-d4-tetrahydrophthalate 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%

dimethyl trans-cyclohex-4-ene-1,2-dioate; dimethyl trans-d4-tetrahydrophthalate Pricemore >>

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dimethyl trans-cyclohex-4-ene-1,2-dioate; dimethyl trans-d4-tetrahydrophthalate Production Method

dimethyl trans-cyclohex-4-ene-1,2-dioate; dimethyl trans-d4-tetrahydrophthalate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:17673-68-6)dimethyl trans-cyclohex-4-ene-1,2-dioate; dimethyl trans-d4-tetrahydrophthalate
Order Number:A1022080
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 15:27
Price ($):836.0

Additional information on dimethyl trans-cyclohex-4-ene-1,2-dioate; dimethyl trans-d4-tetrahydrophthalate

Professional Introduction to Dimethyl trans-Cyclohex-4-ene-1,2-dioate; Dimethyl trans-D4-Tetrahydrophthalate (CAS No. 17673-68-6)

Dimethyl trans-Cyclohex-4-ene-1,2-dioate; dimethyl trans-D4-tetrahydrophthalate (CAS No. 17673-68-6) is a specialized organic compound that has garnered significant attention in the field of chemical and pharmaceutical research. This compound, characterized by its unique molecular structure, exhibits a range of properties that make it valuable in various applications, particularly in the synthesis of advanced materials and pharmaceutical intermediates. The dimethyl trans-D4-tetrahydrophthalate moiety, in particular, plays a crucial role in its reactivity and functionality, making it a subject of intense study among researchers.

The chemical structure of dimethyl trans-Cyclohex-4-ene-1,2-dioate; dimethyl trans-D4-tetrahydrophthalate consists of a cyclohexene backbone with ester groups attached at the 1 and 2 positions, along with a trans configuration that influences its stereochemical properties. This configuration is particularly important in pharmaceutical applications, where the spatial arrangement of atoms can significantly impact the compound's biological activity. The presence of multiple double bonds and ester functionalities also contributes to its versatility in chemical reactions, allowing for further derivatization and modification.

In recent years, the demand for high-purity organic compounds like dimethyl trans-Cyclohex-4-ene-1,2-dioate; dimethyl trans-D4-tetrahydrophthalate has increased due to their role in synthesizing complex molecules used in drug development. The compound's stability under various conditions makes it an ideal candidate for use in multi-step synthetic pathways. Researchers have leveraged its reactivity to develop novel methodologies for constructing heterocyclic compounds, which are prevalent in many pharmacologically active agents.

One of the most compelling aspects of dimethyl trans-D4-tetrahydrophthalate is its potential application in the development of advanced materials. Its ability to undergo polymerization reactions has led to the exploration of its use in creating high-performance polymers with tailored properties. These polymers could find applications in industries ranging from aerospace to electronics, where lightweight and durable materials are essential. The compound's unique structural features also make it a candidate for use in organic electronics, such as organic light-emitting diodes (OLEDs) and photovoltaic cells.

The pharmaceutical industry has also been keenly interested in dimethyl trans-Cyclohex-4-ene-1,2-dioate; dimethyl trans-D4-tetrahydrophthalate due to its potential as an intermediate in drug synthesis. Recent studies have highlighted its role in the production of nonsteroidal anti-inflammatory drugs (NSAIDs) and other therapeutic agents. The compound's ability to serve as a precursor for more complex molecules has opened new avenues for drug discovery and development. Researchers are particularly interested in how modifications to its structure can influence its pharmacological properties, leading to more effective and targeted treatments.

From a synthetic chemistry perspective, dimethyl trans-Cyclohex-4-ene-1,2-dioate; dimethyl trans-D4-tetrahydrophthalate offers a unique platform for exploring new reaction pathways and methodologies. Its reactivity allows chemists to introduce various functional groups while maintaining structural integrity, making it a valuable tool for constructing complex molecular architectures. This flexibility has been exploited in the synthesis of natural products and biologically active compounds, where precise control over molecular structure is crucial.

The environmental impact of using dimethyl trans-D4-tetrahydrophthalate as a chemical intermediate is another area of interest. Modern research emphasizes the development of sustainable chemical processes that minimize waste and reduce environmental footprint. Studies have shown that this compound can be synthesized using green chemistry principles, such as catalytic processes that reduce energy consumption and hazardous byproducts. These advancements align with global efforts to promote sustainable industrial practices.

In conclusion, dimethyl trans-Cyclohex-4-ene-1,2-dioate; dimethyl trans-D4-tetrahydrophthalate (CAS No. 17673-68-6) is a multifaceted compound with significant potential across multiple industries. Its unique chemical properties make it invaluable in pharmaceutical research, material science, and sustainable chemistry. As research continues to uncover new applications for this compound, its importance is likely to grow further, driving innovation and progress in these fields.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:17673-68-6)dimethyl trans-cyclohex-4-ene-1,2-dioate; dimethyl trans-d4-tetrahydrophthalate
A1022080
Purity:99%
Quantity:100g
Price ($):836.0
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