Cas no 408340-71-6 (Methyl 4-(Isopentyloxy)benzenecarboxylate)
Methyl 4-(Isopentyloxy)benzenecarboxylate Chemical and Physical Properties
Names and Identifiers
-
- methyl 4-(3-methylbutoxy)benzoate
- CTK6J0127
- methylisopentyloxybenzenecarboxylate
- 4-isopentyloxy-benzoic acid methyl ester
- 4-Isopentyloxy-benzoesaeure-methylester
- SBB096336
- AC1MC86R
- 4-Isoamyloxy-benzoesaeuremethylester
- METHYL 4-(ISOPENTYLOXY)BENZENECARBOXYLAT
- Methyl 4-(isopentyloxy)benzenecarboxylate
- methyl4-(3-methylbutoxy)benzoate
- MFCD06659534
- ULKCRLYLWOPDGY-UHFFFAOYSA-N
- Methyl 4-(isopentyloxy)benzoate
- Benzoic acid, 4-(3-methylbutyl)oxy-, methyl ester
- J-522255
- SCHEMBL12694298
- CS-0361851
- 10Y-0923
- DTXSID50376924
- 408340-71-6
- AKOS005069374
- Methyl 4-(Isopentyloxy)benzenecarboxylate
-
- MDL: MFCD06659534
- Inchi: 1S/C13H18O3/c1-10(2)8-9-16-12-6-4-11(5-7-12)13(14)15-3/h4-7,10H,8-9H2,1-3H3
- InChI Key: ULKCRLYLWOPDGY-UHFFFAOYSA-N
- SMILES: O(C1C=CC(C(=O)OC)=CC=1)CCC(C)C
Computed Properties
- Exact Mass: 222.125594432g/mol
- Monoisotopic Mass: 222.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 205
- 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
- Topological Polar Surface Area: 35.5?2
Methyl 4-(Isopentyloxy)benzenecarboxylate Security Information
- Signal Word:warning
- Hazard Statement: H303+H313+H333
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
Methyl 4-(Isopentyloxy)benzenecarboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Apollo Scientific | OR9867-1g |
Methyl 4-(isopentyloxy)benzenecarboxylate |
408340-71-6 | 95% | 1g |
£145.00 | 2024-05-22 | |
| Apollo Scientific | OR9867-5g |
Methyl 4-(isopentyloxy)benzenecarboxylate |
408340-71-6 | 95% | 5g |
£375.00 | 2024-05-22 | |
| Apollo Scientific | OR9867-10g |
Methyl 4-(isopentyloxy)benzenecarboxylate |
408340-71-6 | 95% | 10g |
£550.00 | 2024-05-22 | |
| TRC | M695580-50mg |
Methyl 4-(Isopentyloxy)benzenecarboxylate |
408340-71-6 | 50mg |
$ 50.00 | 2022-06-03 | ||
| TRC | M695580-100mg |
Methyl 4-(Isopentyloxy)benzenecarboxylate |
408340-71-6 | 100mg |
$ 65.00 | 2022-06-03 | ||
| TRC | M695580-500mg |
Methyl 4-(Isopentyloxy)benzenecarboxylate |
408340-71-6 | 500mg |
$ 185.00 | 2022-06-03 | ||
| abcr | AB257109-1 g |
Methyl 4-(isopentyloxy)benzenecarboxylate, 95%; . |
408340-71-6 | 95% | 1g |
€260.30 | 2023-04-27 | |
| abcr | AB257109-5 g |
Methyl 4-(isopentyloxy)benzenecarboxylate, 95%; . |
408340-71-6 | 95% | 5g |
€696.70 | 2023-04-27 | |
| abcr | AB257109-10 g |
Methyl 4-(isopentyloxy)benzenecarboxylate, 95%; . |
408340-71-6 | 95% | 10g |
€1131.70 | 2023-04-27 | |
| abcr | AB257109-1g |
Methyl 4-(isopentyloxy)benzenecarboxylate, 95%; . |
408340-71-6 | 95% | 1g |
€260.30 | 2025-04-18 |
Methyl 4-(Isopentyloxy)benzenecarboxylate Related Literature
-
1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
Additional information on Methyl 4-(Isopentyloxy)benzenecarboxylate
Methyl 4-(Isopentyloxy)benzenecarboxylate (CAS No. 408340-71-6): A Comprehensive Overview
Methyl 4-(isopentyloxy)benzenecarboxylate (CAS No. 408340-71-6) is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and bioorganic synthesis. This compound, characterized by its unique structural motif, holds promise for various applications ranging from drug development to material science. The presence of an isopentyloxy group attached to a benzenecarboxylate moiety imparts distinct chemical properties that make it a valuable intermediate in synthetic chemistry.
The compound's molecular structure, featuring a benzene ring substituted with an isopentyloxy group at the para position relative to a carboxylate ester, contributes to its reactivity and potential utility. Such structural features are often exploited in the design of bioactive molecules, where specific spatial and electronic distributions are critical for biological activity. The benzenecarboxylate group, in particular, is known for its versatility in forming hydrogen bonds and participating in various coordination interactions, making it a useful scaffold in medicinal chemistry.
In recent years, there has been a growing interest in the development of novel compounds that can modulate biological pathways with high specificity and low toxicity. Methyl 4-(isopentyloxy)benzenecarboxylate has emerged as a compound of interest in this context, particularly due to its potential as a precursor for more complex pharmacophores. Researchers have been exploring its utility in the synthesis of inhibitors targeting various disease-related pathways, including those involved in inflammation and metabolic disorders.
One of the most compelling aspects of this compound is its role as a building block in the synthesis of more intricate molecules. The isopentyloxy group provides a flexible side chain that can be further modified through various chemical transformations, such as hydrolysis, reduction, or coupling reactions. This adaptability makes it an attractive candidate for medicinal chemists looking to develop new drug candidates with tailored properties.
Recent studies have highlighted the compound's potential in the development of anti-inflammatory agents. The benzenecarboxylate moiety is known to interact with biological targets such as enzymes and receptors, while the isopentyloxy group can influence the molecule's solubility and metabolic stability. These properties are crucial for designing drugs that can effectively reach their target sites while minimizing side effects.
The synthesis of Methyl 4-(isopentyloxy)benzenecarboxylate typically involves multi-step organic reactions that require precise control over reaction conditions. Advanced synthetic methodologies, including palladium-catalyzed cross-coupling reactions and enzymatic transformations, have been employed to achieve high yields and purity levels. These synthetic strategies not only highlight the compound's synthetic utility but also demonstrate the advancements in organic chemistry that enable the production of complex molecules.
In addition to its pharmaceutical applications, Methyl 4-(isopentyloxy)benzenecarboxylate has shown promise in material science research. Its unique structural features make it a candidate for developing novel polymers and coatings with enhanced performance characteristics. For instance, its ability to form stable hydrogen bonds could be leveraged to create materials with improved adhesion or barrier properties.
The compound's stability under various environmental conditions is another area of interest. Studies have investigated its behavior under different pH levels, temperatures, and solvent systems, providing insights into its potential applications in industrial processes. These findings underscore the versatility of Methyl 4-(isopentyloxy)benzenecarboxylate as both a chemical intermediate and a functional material.
Economic considerations also play a significant role in the adoption of Methyl 4-(isopentyloxy)benzenecarboxylate in industrial applications. The cost-effectiveness of its synthesis and scalability are critical factors that influence its commercial viability. Recent advancements in green chemistry have led to more sustainable synthetic routes, reducing waste generation and energy consumption without compromising yield or purity.
The regulatory landscape surrounding the use of this compound is another important aspect to consider. As with all chemical entities used in pharmaceuticals or materials science, compliance with regulatory standards ensures safety and efficacy. Manufacturers must adhere to stringent guidelines set forth by agencies such as the FDA and EMA to ensure that their products meet quality and performance expectations.
In conclusion, Methyl 4-(isopentyloxy)benzenecarboxylate (CAS No. 408340-71-6) represents a fascinating compound with diverse applications across multiple scientific disciplines. Its unique structural features make it a valuable intermediate in drug development and material science research. As our understanding of organic chemistry continues to evolve, compounds like this one will undoubtedly play an increasingly important role in advancing scientific knowledge and technological innovation.
408340-71-6 (Methyl 4-(Isopentyloxy)benzenecarboxylate) Related Products
- 92950-97-5(Benzoic acid, 4-(undecyloxy)-, 4-[[(4S)-4-methylhexyl]oxy]phenyl ester)
- 92950-96-4(Benzoic acid,4-(decyloxy)-, 4-[[(4S)-4-methylhexyl]oxy]phenyl ester)
- 108134-05-0(Benzoic acid, 4-(decyloxy)-, 4-[(4-methylhexyl)oxy]phenyl ester)
- 131205-07-7(Benzoic acid, 4-hydroxy-, 4-(2-methylbutoxy)phenyl ester)
- 688062-59-1(1,3-BENZENEDICARBOXYLIC ACID, 5-(3-METHYLBUTOXY)-, DIMETHYL ESTER)
- 96753-31-0(Benzoic acid, 4-[(4-methylhexyl)oxy]-, 4-(heptyloxy)phenyl ester)
- 67683-29-8(4-(3-Methylbutoxy)phenyl 4-propoxybenzoate)
- 116394-41-3(Benzoic acid, 4-hydroxy-, 4-(2-methylbutoxy)phenyl ester, (S)- (9CI))
- 110228-82-5(Benzoic acid, 4-[(4-propoxyphenoxy)methyl]-, 4-(2-methylbutoxy)phenyl ester, (S)- (9CI))
- 92950-98-6(Benzoic acid, 4-(dodecyloxy)-, 4-[[(4S)-4-methylhexyl]oxy]phenyl ester)