Cas no 152146-59-3 (4-(2-Butyl-5-formyl-1H-imidazol-1-yl)methylbenzoic Acid)
4-(2-Butyl-5-formyl-1H-imidazol-1-yl)methylbenzoic Acid Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-[(2-butyl-5-formyl-1H-imidazol-1-yl)methyl]-
- 4-(2-BUTYL-5-FORMYLIMIDAZOL-1-YLMETHYL)BENZOIC ACID
- 4-[(2-Butyl-5-formyl-1H-imidazol-1-yl)methyl]benzoic Acid
- 4-[(2-butyl-5-formylimidazol-1-yl)methyl]benzoic acid
- 2-butyl-1-(4-carboxybenzyl)-5-formylimidazole
- 2-n-butyl-1-[(4-carboxyphenyl)-methyl]-1H-imidazole-5-carboxaldehyde
- 4-[(2-butyl-5-formyl-1H-imidazo-1-yl)methyl]benzoic acid
- 4-[(2-n-Butyl-5-formyl-1H-imidazol-1-yl)methyl]benzoic Acid
- Benzoic acid,4-[(2-butyl-5-formyl-1H-imidazol-1-yl)methyl]
- Eprosartan Related CoMpound 2
- Benzoic acid, 4-[(2-butyl-5-formyl-1H-imidazol-1-yl)methyl]
- SCHEMBL951175
- SS-3568
- CS-0447157
- 152146-59-3
- J-008895
- JM73NPQ2M5
- FT-0664126
- 1346598-15-9
- 4-((2-Butyl-5-formyl-1H-imidazol-1-yl)methyl)benzoic acid
- AKOS025393530
- DTXSID10432015
- QLMGJDCOKQGJKF-UHFFFAOYSA-N
- 4-(2-Butyl-5-formyl-1H-imidazol-1-yl)methylbenzoic Acid
-
- MDL: MFCD09955146
- Inchi: 1S/C16H18N2O3/c1-2-3-4-15-17-9-14(11-19)18(15)10-12-5-7-13(8-6-12)16(20)21/h5-9,11H,2-4,10H2,1H3,(H,20,21)
- InChI Key: QLMGJDCOKQGJKF-UHFFFAOYSA-N
- SMILES: O=CC1=CN=C(CCCC)N1CC1C=CC(C(=O)O)=CC=1
Computed Properties
- Exact Mass: 286.13200
- Monoisotopic Mass: 286.13174244g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 7
- Complexity: 353
- 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: 2.7
- Topological Polar Surface Area: 72.2?2
Experimental Properties
- Density: 1.2±0.1 g/cm3
- Melting Point: Not available
- Boiling Point: 505.3±35.0 °C at 760 mmHg
- Flash Point: 259.4±25.9 °C
- PSA: 72.19000
- LogP: 2.78470
- Vapor Pressure: 0.0±1.4 mmHg at 25°C
4-(2-Butyl-5-formyl-1H-imidazol-1-yl)methylbenzoic Acid Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
-
Warning Statement:
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Safety Instruction: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
4-(2-Butyl-5-formyl-1H-imidazol-1-yl)methylbenzoic 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%
4-(2-Butyl-5-formyl-1H-imidazol-1-yl)methylbenzoic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Matrix Scientific | 116429-500mg |
4-[(2-Butyl-5-formyl-1H-imidazol-1-yl)methyl]benzoic acid, >95% |
152146-59-3 | >95% | 500mg |
$945.00 | 2023-09-10 | |
| Matrix Scientific | 116429-1g |
4-[(2-Butyl-5-formyl-1H-imidazol-1-yl)methyl]benzoic acid, >95% |
152146-59-3 | >95% | 1g |
$1276.00 | 2023-09-10 | |
| TRC | B691800-25mg |
4-[(2-Butyl-5-formyl-1H-imidazol-1-yl)methyl]benzoic Acid |
152146-59-3 | 25mg |
$ 196.00 | 2023-04-18 | ||
| TRC | B691800-250mg |
4-[(2-Butyl-5-formyl-1H-imidazol-1-yl)methyl]benzoic Acid |
152146-59-3 | 250mg |
$ 1800.00 | 2023-09-08 | ||
| A2B Chem LLC | AD71339-1mg |
4-[(2-Butyl-5-formyl-1h-imidazol-1-yl)methyl]benzoic acid |
152146-59-3 | >95% | 1mg |
$201.00 | 2024-04-20 | |
| A2B Chem LLC | AD71339-5mg |
4-[(2-Butyl-5-formyl-1h-imidazol-1-yl)methyl]benzoic acid |
152146-59-3 | >95% | 5mg |
$214.00 | 2024-04-20 | |
| A2B Chem LLC | AD71339-10mg |
4-[(2-Butyl-5-formyl-1h-imidazol-1-yl)methyl]benzoic acid |
152146-59-3 | >95% | 10mg |
$240.00 | 2024-04-20 | |
| A2B Chem LLC | AD71339-500mg |
4-[(2-Butyl-5-formyl-1h-imidazol-1-yl)methyl]benzoic acid |
152146-59-3 | >95% | 500mg |
$720.00 | 2024-04-20 | |
| A2B Chem LLC | AD71339-1g |
4-[(2-Butyl-5-formyl-1h-imidazol-1-yl)methyl]benzoic acid |
152146-59-3 | >95% | 1g |
$1049.00 | 2024-04-20 |
4-(2-Butyl-5-formyl-1H-imidazol-1-yl)methylbenzoic Acid Related Literature
-
Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
Additional information on 4-(2-Butyl-5-formyl-1H-imidazol-1-yl)methylbenzoic Acid
Professional Introduction to 4-(2-Butyl-5-formyl-1H-imidazol-1-yl)methylbenzoic Acid (CAS No. 152146-59-3)
4-(2-Butyl-5-formyl-1H-imidazol-1-yl)methylbenzoic Acid, with the CAS number 152146-59-3, is a specialized organic compound that has garnered significant attention in the field of chemical and pharmaceutical research. This compound belongs to the class of benzoic acid derivatives, characterized by its unique structural features that make it a valuable intermediate in the synthesis of various biologically active molecules.
The molecular structure of 4-(2-Butyl-5-formyl-1H-imidazol-1-yl)methylbenzoic Acid incorporates several key functional groups, including a formyl group and an imidazole ring. These features contribute to its reactivity and potential applications in medicinal chemistry. The presence of the formyl group (-CHO) allows for further functionalization through condensation reactions, while the imidazole ring is known for its role in various biological processes, making it a promising scaffold for drug development.
In recent years, there has been a growing interest in benzoic acid derivatives due to their diverse pharmacological properties. Studies have demonstrated that compounds containing the benzoic acid moiety often exhibit anti-inflammatory, antimicrobial, and antioxidant activities. The specific arrangement of functional groups in 4-(2-Butyl-5-formyl-1H-imidazol-1-yl)methylbenzoic Acid positions it as a versatile building block for the synthesis of novel therapeutic agents.
One of the most compelling aspects of this compound is its potential application in the development of targeted therapies. The imidazole ring, in particular, has been extensively studied for its role in modulating enzyme activity and receptor binding. For instance, imidazole derivatives have shown promise in treating neurological disorders by interacting with specific neurotransmitter receptors. The addition of a butyl group at the 2-position enhances the lipophilicity of the molecule, improving its ability to cross biological membranes, which is crucial for drug bioavailability.
The formyl group on 4-(2-Butyl-5-formyl-1H-imidazol-1-yl)methylbenzoic Acid also opens up possibilities for further chemical modifications. This group can undergo reactions such as condensation with amino compounds to form amides, or oxidation to yield carboxylic acids. Such modifications are essential in drug design, allowing chemists to fine-tune the pharmacokinetic and pharmacodynamic properties of potential drugs.
Recent research has highlighted the importance of structure-function relationships in drug discovery. Computational studies have shown that subtle changes in the molecular structure can significantly alter the biological activity of a compound. In this context, 4-(2-Butyl-5-formyl-1H-imidazol-1-yl)methylbenzoic Acid serves as an excellent candidate for structure-based drug design. By leveraging computational tools such as molecular docking and virtual screening, researchers can identify potential binding sites on target proteins and optimize the compound's interactions accordingly.
The synthesis of 4-(2-butyl)-5-formylimidazole benzoyl chloride has been reported as a key step in obtaining this compound. This synthetic route involves the reaction of 2-butylimidazole with benzoyl chloride in the presence of a base catalyst. The resulting intermediate can then be further functionalized to introduce additional modifications if needed. The efficiency and scalability of this synthetic pathway make it attractive for industrial applications where large quantities of the compound are required.
In addition to its pharmaceutical applications, 4-(2-butyl)-5-formylimidazole benzoyl chloride has shown promise in materials science. The unique structural properties of this compound make it suitable for use as a crosslinking agent or a building block for more complex polymers. These materials could find applications in coatings, adhesives, and even advanced electronic devices where precise molecular control is essential.
The role of imidazole derivatives in medicinal chemistry cannot be overstated. They have been implicated in various biological pathways, including those involved in immune response and cell signaling. By designing molecules that interact selectively with these pathways, researchers aim to develop treatments for diseases such as cancer and autoimmune disorders. The versatility of 4-(2-butyl)-5-formylimidazole benzoyl chloride makes it an invaluable tool in this endeavor.
As our understanding of biological systems continues to evolve, so does our ability to design molecules that interact with them more effectively. The development of new synthetic methods and computational tools has accelerated this process significantly. In this landscape, compounds like 4-(2-butyl)-5-formylimidazole benzoyl chloride play a crucial role by providing chemists with innovative starting points for drug discovery.
The future prospects for 4-(2-butyl)-5-formylimidazole benzoyl chloride are bright, with ongoing research exploring its potential applications across multiple fields. Whether used as an intermediate in pharmaceutical synthesis or as a component in advanced materials, this compound exemplifies the importance of interdisciplinary collaboration in driving scientific progress.
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