Cas no 3304-70-9 (4,5-dimethyl 1H-imidazole-4,5-dicarboxylate)
4,5-dimethyl 1H-imidazole-4,5-dicarboxylate Chemical and Physical Properties
Names and Identifiers
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- Dimethyl 4,5-imidazoledicarboxylate
- Dimethyl 1H-imidazole-4,5-dicarboxylate
- Dimethyl-4,5-Imidazole Dicarboxylate
- 1H-Imidazole-4,5-dicarboxylic Acid Dimethyl Ester
- 1H-Imidazole-4,dimethyl ester
- 4,5-dimethoxycarbonyl-imidazole
- dimethyl imidazole-4,5-dicarboxylate
- Imidazole-4,dimethyl ester
- methyl 4,5-imidazoledicarboxylate
- 4,5-dimethyl 1H-imidazole-4,5-dicarboxylate
- MLS000767417
- EN300-222041
- 4,5-Imidazoledicarboxylic acid, dimethyl ester
- I0456
- F0391-0004
- CS-W002240
- TimTec1_005020
- SY021992
- SMR000429771
- 3304-70-9
- SCHEMBL1081091
- 1H-Imidazole-4,5-dicarboxylic acid, 4,5-dimethyl ester
- Dimethyl 1H-imidazole-4,5-dicarboxylate #
- NSC 44628
- HMS2779F19
- AS-11909
- HMS1548E04
- dimethyl 4,5-imidazole dicarboxylate
- AM20090499
- J-520362
- DTXSID1062966
- Imidazole-4, dimethyl ester
- SR-01000388931
- Imidazole-4,5-dicarboxylic acid, dimethyl ester
- CHEMBL2134742
- 1H-Imidazole-4,5-dicarboxylic acid, dimethyl ester
- A5904
- NSC-44693
- NSC 44693
- NCGC00246369-01
- NSC44693
- dimethyl 4,5 imidazole dicarboxylate
- NSC-44628
- MFCD00051338
- FT-0625064
- SR-01000388931-1
- Dimethyl 4,5-imidazole-dicarboxylate
- AKOS004117730
- dimethyl1H-imidazole-4,5-dicarboxylate;Dimethyl 4,5-imidazoledicarboxylate
- 1H-Imidazole-4, dimethyl ester
- NSC44628
- PB42558
- Dimethyl 4,5-imidazoledicarboxylate, 97%
- BP-21477
- ALBB-016090
- STK723348
- BBL010648
- DB-048326
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- MDL： MFCD00051338
- Inchi： 1S/C7H8N2O4/c1-12-6(10)4-5(7(11)13-2)9-3-8-4/h3H,1-2H3,(H,8,9)
- InChI Key： CUIWFAXEALIQJS-UHFFFAOYSA-N
- SMILES： O(C)C(C1=C(C(=O)OC)N=CN1)=O
Computed Properties
- Exact Mass: 184.04800
- Monoisotopic Mass: 184.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 219
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 0.4
- Topological Polar Surface Area: 81.3A^2
Experimental Properties
- Color/Form: Uncertain
- Density: 1.4540 (rough estimate)
- Melting Point: 207-212?°C
- Boiling Point: 338.2°C at 760 mmHg
- Flash Point: 158.3°C
- Refractive Index: 1.5200 (estimate)
- PSA: 81.28000
- LogP: -0.01710
- Solubility: Uncertain
4,5-dimethyl 1H-imidazole-4,5-dicarboxylate Security Information
- Signal Word：Warning
- Hazard Statement： H302-H315-H319-H332-H335
- Warning Statement： P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
- Hazard Category Code： 41
- Safety Instruction： S24/25
- HazardClass：IRRITANT
- Storage Condition：Store at room temperature
- Safety Term：S24/25
4,5-dimethyl 1H-imidazole-4,5-dicarboxylate Customs Data
- HS CODE：2917370000
- Customs Data：
China Customs Code:
2933290090Overview:
2933290090. Other compounds with non fused imidazole ring in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. 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:
2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
4,5-dimethyl 1H-imidazole-4,5-dicarboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D138682-5g |
4,5-dimethyl 1H-imidazole-4,5-dicarboxylate |
3304-70-9 | ≥97% | 5g |
￥77.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D138682-1g |
4,5-dimethyl 1H-imidazole-4,5-dicarboxylate |
3304-70-9 | ≥97% | 1g |
￥29.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D138682-25g |
4,5-dimethyl 1H-imidazole-4,5-dicarboxylate |
3304-70-9 | ≥97% | 25g |
￥337.90 | 2023-09-03 | |
| Alichem | A069003362-25g |
Dimethyl 4,5-imidazoledicarboxylate |
3304-70-9 | 98% | 25g |
$176.40 | 2023-09-02 | |
| Alichem | A069003362-100g |
Dimethyl 4,5-imidazoledicarboxylate |
3304-70-9 | 98% | 100g |
$466.96 | 2023-09-02 | |
| Fluorochem | 042980-5g |
Dimethyl 1H-Imidazole-4,5-dicarboxylate |
3304-70-9 | 95% | 5g |
￡15.00 | 2022-03-01 | |
| Fluorochem | 042980-10g |
Dimethyl 1H-Imidazole-4,5-dicarboxylate |
3304-70-9 | 95% | 10g |
￡28.00 | 2022-03-01 | |
| Fluorochem | 042980-25g |
Dimethyl 1H-Imidazole-4,5-dicarboxylate |
3304-70-9 | 95% | 25g |
￡59.00 | 2022-03-01 | |
| Fluorochem | 042980-100g |
Dimethyl 1H-Imidazole-4,5-dicarboxylate |
3304-70-9 | 95% | 100g |
￡165.00 | 2022-03-01 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R031233-25g |
4,5-dimethyl 1H-imidazole-4,5-dicarboxylate |
3304-70-9 | 98% | 25g |
￥325 | 2024-05-24 |
4,5-dimethyl 1H-imidazole-4,5-dicarboxylate Suppliers
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4,5-dimethyl 1H-imidazole-4,5-dicarboxylate Related Literature
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Bijan Roy,Sandip Mukherjee,Partha Sarathi Mukherjee CrystEngComm 2013 15 9596
Additional information on 4,5-dimethyl 1H-imidazole-4,5-dicarboxylate
Recent Advances in the Study of 4,5-dimethyl 1H-imidazole-4,5-dicarboxylate (CAS: 3304-70-9) in Chemical Biology and Pharmaceutical Research
The compound 4,5-dimethyl 1H-imidazole-4,5-dicarboxylate (CAS: 3304-70-9) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its versatile applications in drug discovery and development. This heterocyclic compound, characterized by its imidazole core and dicarboxylate functional groups, has demonstrated potential as a key intermediate in the synthesis of bioactive molecules. Recent studies have explored its role in modulating enzyme activity, serving as a ligand for metal coordination complexes, and contributing to the development of novel therapeutic agents.
One of the most notable advancements in the study of 4,5-dimethyl 1H-imidazole-4,5-dicarboxylate is its application in the design of enzyme inhibitors. Researchers have identified its structural similarity to natural substrates of certain enzymes, making it a promising candidate for competitive inhibition. For instance, a 2023 study published in the Journal of Medicinal Chemistry demonstrated its efficacy in inhibiting histone deacetylases (HDACs), a class of enzymes implicated in cancer progression. The study highlighted the compound's ability to chelate zinc ions in the active site of HDACs, thereby blocking their catalytic activity.
In addition to its role in enzyme inhibition, 4,5-dimethyl 1H-imidazole-4,5-dicarboxylate has been investigated for its utility in metal-organic frameworks (MOFs). A recent publication in Advanced Materials showcased its use as a bridging ligand in the construction of MOFs with high porosity and stability. These MOFs have potential applications in drug delivery systems, where their tunable pore sizes can be exploited for the controlled release of therapeutic agents. The study also noted the compound's favorable biocompatibility, further enhancing its appeal for biomedical applications.
Another area of active research involves the derivatization of 4,5-dimethyl 1H-imidazole-4,5-dicarboxylate to enhance its pharmacological properties. A 2024 study in Bioorganic & Medicinal Chemistry Letters reported the synthesis of several derivatives with improved solubility and bioavailability. These derivatives were evaluated for their anti-inflammatory and antimicrobial activities, with some showing comparable efficacy to existing drugs. The findings suggest that structural modifications of this compound could lead to the development of new therapeutic agents with reduced side effects.
Despite these promising developments, challenges remain in the large-scale synthesis and application of 4,5-dimethyl 1H-imidazole-4,5-dicarboxylate. Issues such as yield optimization, purification, and stability under physiological conditions need to be addressed. However, ongoing research efforts, including the use of green chemistry approaches and computational modeling, are expected to overcome these hurdles. The compound's versatility and potential for innovation make it a valuable asset in the toolkit of chemical biologists and pharmaceutical researchers.
In conclusion, 4,5-dimethyl 1H-imidazole-4,5-dicarboxylate (CAS: 3304-70-9) represents a compelling subject of study in contemporary chemical biology and pharmaceutical research. Its applications span enzyme inhibition, drug delivery, and therapeutic agent development, underscoring its multifaceted utility. As research continues to uncover new possibilities for this compound, it is poised to play an increasingly important role in advancing drug discovery and biomedical science.
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