Cas no 191103-80-7 (1-Trityl-1H-imidazole-4-carboxylic acid)
1-Trityl-1H-imidazole-4-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 1-Trityl-1H-imidazole-4-carboxylic acid
- 1-Triphenylmethylimidazole-4-carboxylicacid
- 1H-Imidazole-4-carboxylicacid, 1-(triphenylmethyl)-
- 1-tritylimidazole-4-carboxylic acid
- 1-Tritylimidazole-3-carboxylic aicd
- 1-Trityl-1H-imidazole-4-carboxylic acid 1-Tritylimidazole-3-carboxylic aicd
- 1-(Triphenylmethyl)-1H-imidazole-4-carboxylic acid
- FT-0738281
- J-012347
- UQQHMXJCLHSYRV-UHFFFAOYSA-N
- N-tritylimidazole-4-carboxylic acid
- MFCD06203351
- D97356
- SCHEMBL670904
- 1-Trityl-1 H-imidazole-4-carboxylic acid
- 1H-Imidazole-4-carboxylic acid, 1-(triphenylmethyl)-
- CS-0186371
- AKOS015839039
- 1-trityl -1H-imidazole-4-formic acid
- 1-Trityl-1H-iMidazole-4-carboxylic acid?
- 1-Trityl-1H-imidazole-4-carboxylicacid
- BS-21972
- 191103-80-7
- DTXSID60441910
- DB-065736
- ALBB-034189
- 1-(TRIPHENYLMETHYL)IMIDAZOLE-4-CARBOXYLIC ACID
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- MDL: MFCD06203351
- Inchi: 1S/C23H18N2O2/c26-22(27)21-16-25(17-24-21)23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H,(H,26,27)
- InChI Key: UQQHMXJCLHSYRV-UHFFFAOYSA-N
- SMILES: OC(C1=CN(C=N1)C(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 354.13700
- Monoisotopic Mass: 354.136827821g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 27
- Rotatable Bond Count: 5
- Complexity: 445
- 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
- XLogP3: 4.6
- Topological Polar Surface Area: 55.1?2
Experimental Properties
- Density: 1.165
- Boiling Point: 546.287 °C at 760 mmHg
- Flash Point: 284.184 °C
- PSA: 55.12000
- LogP: 4.42150
1-Trityl-1H-imidazole-4-carboxylic acid Customs Data
- HS CODE:2933290090
- 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%
1-Trityl-1H-imidazole-4-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM187439-1g |
1-Trityl-1H-imidazole-4-carboxylic acid |
191103-80-7 | 95% | 1g |
$104 | 2023-01-19 | |
| Chemenu | CM187439-5g |
1-Trityl-1H-imidazole-4-carboxylic acid |
191103-80-7 | 95% | 5g |
$362 | 2023-01-19 | |
| Chemenu | CM187439-5g |
1-Trityl-1H-imidazole-4-carboxylic acid |
191103-80-7 | 95% | 5g |
$426 | 2021-08-05 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | T889978-5g |
1-Trityl-1H-imidazole-4-carboxylic acid |
191103-80-7 | 98% | 5g |
3,709.80 | 2021-05-17 | |
| eNovation Chemicals LLC | Y1216547-5g |
1-Trityl-1H-imidazole-4-carboxylic acid |
191103-80-7 | 95% | 5g |
$550 | 2024-06-03 | |
| abcr | AB273049-1 g |
1-Trityl-1H-imidazole-4-carboxylic acid, 98%; . |
191103-80-7 | 98% | 1 g |
€264.70 | 2023-07-20 | |
| abcr | AB273049-5 g |
1-Trityl-1H-imidazole-4-carboxylic acid, 98%; . |
191103-80-7 | 98% | 5 g |
€869.90 | 2023-07-20 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-DK053-200mg |
1-Trityl-1H-imidazole-4-carboxylic acid |
191103-80-7 | 98% | 200mg |
332.0CNY | 2021-08-04 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-DK053-1g |
1-Trityl-1H-imidazole-4-carboxylic acid |
191103-80-7 | 98% | 1g |
1262.0CNY | 2021-08-04 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-DK053-50mg |
1-Trityl-1H-imidazole-4-carboxylic acid |
191103-80-7 | 98% | 50mg |
121.0CNY | 2021-08-04 |
1-Trityl-1H-imidazole-4-carboxylic acid Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
Additional information on 1-Trityl-1H-imidazole-4-carboxylic acid
Introduction to 1-Trityl-1H-imidazole-4-carboxylic acid (CAS No. 191103-80-7)
1-Trityl-1H-imidazole-4-carboxylic acid, identified by its unique Chemical Abstracts Service (CAS) number 191103-80-7, is a compound of significant interest in the field of pharmaceutical chemistry and medicinal biology. This molecule, featuring a trityl group attached to an imidazole core with a carboxylic acid functional group at the 4-position, has garnered attention due to its structural versatility and potential applications in drug discovery and molecular research.
The trityl group, a protecting group commonly used in organic synthesis, contributes to the stability of 1-Trityl-1H-imidazole-4-carboxylic acid, making it a valuable intermediate in the synthesis of more complex molecules. The imidazole ring, a heterocyclic aromatic structure, is well-documented for its presence in numerous bioactive compounds, including natural products and pharmaceuticals. Its role as a pharmacophore is attributed to its ability to interact with biological targets such as enzymes and receptors, often through hydrogen bonding interactions.
The carboxylic acid moiety at the 4-position of the imidazole ring introduces further reactivity, enabling various chemical modifications that can be exploited in drug design. This functionality allows for facile derivatization via esterification, amidation, or coupling reactions, expanding the synthetic possibilities of 1-Trityl-1H-imidazole-4-carboxylic acid. Such modifications are crucial in the development of novel therapeutic agents, where precise control over molecular structure is essential for optimizing pharmacological properties.
In recent years, there has been growing interest in imidazole derivatives as scaffolds for drug development. The structural motif has been explored in various therapeutic areas, including antiviral, anticancer, and anti-inflammatory agents. For instance, studies have highlighted the potential of imidazole-based compounds in inhibiting viral proteases and integrases, which are critical targets in antiviral therapy. Additionally, modifications of the imidazole ring have been investigated for their ability to modulate kinase activity, a key mechanism in cancer treatment.
1-Trityl-1H-imidazole-4-carboxylic acid itself has been utilized as a building block in the synthesis of more complex molecules with tailored biological activities. Researchers have leveraged its structural features to develop inhibitors targeting specific enzymes involved in metabolic pathways relevant to diseases such as diabetes and obesity. The trityl protection ensures that reactive sites on the molecule are safeguarded during multi-step syntheses, allowing for controlled introduction of additional functional groups without unintended side reactions.
The compound's utility extends beyond academic research; it has found applications in industrial settings where high-purity intermediates are required for large-scale synthesis. Its stability under various reaction conditions makes it a reliable choice for pharmaceutical manufacturers seeking efficient routes to biologically active compounds. Furthermore, the ease with which 1-Trityl-1H-imidazole-4-carboxylic acid can be modified into diverse derivatives underscores its importance as a versatile chemical entity.
Advances in computational chemistry have further enhanced the understanding of 1-Trityl-1H-imidazole-4-carboxylic acid's potential applications. Molecular modeling studies have predicted its binding interactions with biological targets, providing insights into how structural modifications can improve binding affinity and selectivity. These predictions guide experimental efforts, reducing trial-and-error approaches and accelerating the drug discovery process.
The role of protecting groups like the trityl moiety cannot be overstated in modern synthetic chemistry. They enable chemists to isolate reactive intermediates without degradation or side reactions, which is particularly important when working with sensitive functional groups such as carboxylic acids or imidazole rings. This level of control is essential for achieving high yields and purity in synthetic routes aimed at producing pharmaceutical-grade compounds.
Recent patents and scientific literature have demonstrated innovative uses of 1-Trityl-1H-imidazole-4-carboxylic acid in developing novel therapeutics. For example, researchers have reported its incorporation into peptidomimetics designed to mimic natural bioactive peptides while avoiding their limitations such as susceptibility to enzymatic degradation. Such peptidomimetics hold promise for treating conditions ranging from neurodegenerative disorders to autoimmune diseases.
The compound's compatibility with modern synthetic methodologies also makes it attractive for green chemistry initiatives. Efforts to minimize waste and reduce hazardous reagents have led to the development of more sustainable synthetic routes that incorporate 1-Trityl-1H-imidazole-4-carboxylic acid as a key intermediate. These approaches align with global trends toward environmentally responsible pharmaceutical production.
In conclusion,1-Trityl-1H-imidazole-4-carboxylic acid (CAS No. 191103-80-7) represents a valuable asset in pharmaceutical chemistry and medicinal biology due to its structural features and synthetic utility. Its versatility as an intermediate has enabled researchers to develop innovative therapeutics targeting various diseases while maintaining high standards of purity and stability throughout synthesis. As research continues to uncover new applications for this compound,its significance is expected to grow further within both academic and industrial settings.
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