Cas no 106200-41-3 (4-(4-Oxobutyl)benzoic Acid Methyl Ester)
4-(4-Oxobutyl)benzoic Acid Methyl Ester Chemical and Physical Properties
Names and Identifiers
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- Methyl 4-(4-oxobutyl)benzoate
- 2-Thiophenecarboxylic acid, 4-(4-nitrophenyl)-, methyl ester
- 4-p-carbomethoxyphenylbutyraldehyde
- SureCN6368901
- 4-(4-carboxymethoxyphenyl)butanal
- 4-(4-carbomethoxyphenyl)butanal
- methyl 4-(4-nitrophenyl)thiophen-2-carboxylate
- AGN-PC-007HEW
- CTK1J4451
- 4-(4'-Carbomethoxyphenyl)butyraldehyde
- methyl p-(4-oxobutyl)benzoate
- 4-(4-Oxobutyl)benzoic acid methyl ester
- 4-(4-CARBOMETHOXYPHENYL)BUTANAL(WXG01250)
- 4-(4-Oxobutyl)benzoic Acid Methyl Ester
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- Inchi: 1S/C12H14O3/c1-15-12(14)11-7-5-10(6-8-11)4-2-3-9-13/h5-9H,2-4H2,1H3
- InChI Key: PKKOQVAJFXOJOA-UHFFFAOYSA-N
- SMILES: O(C)C(C1C=CC(=CC=1)CCCC=O)=O
Computed Properties
- Exact Mass: 206.09400
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
Experimental Properties
- Density: 1.082±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 76.5-78 oC (ethyl ether )
- Solubility: Very slightly soluble (0.41 g/l) (25 o C),
- PSA: 43.37000
- LogP: 1.99480
4-(4-Oxobutyl)benzoic Acid Methyl Ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | O848475-50mg |
4-(4-Oxobutyl)benzoic Acid Methyl Ester |
106200-41-3 | 50mg |
$ 193.00 | 2023-09-06 | ||
| TRC | O848475-500mg |
4-(4-Oxobutyl)benzoic Acid Methyl Ester |
106200-41-3 | 500mg |
$ 1581.00 | 2023-09-06 | ||
| Enamine | EN300-1868366-0.05g |
methyl 4-(4-oxobutyl)benzoate |
106200-41-3 | 0.05g |
$1068.0 | 2023-09-18 | ||
| Enamine | EN300-1868366-0.1g |
methyl 4-(4-oxobutyl)benzoate |
106200-41-3 | 0.1g |
$1119.0 | 2023-09-18 | ||
| Enamine | EN300-1868366-0.25g |
methyl 4-(4-oxobutyl)benzoate |
106200-41-3 | 0.25g |
$1170.0 | 2023-09-18 | ||
| Enamine | EN300-1868366-0.5g |
methyl 4-(4-oxobutyl)benzoate |
106200-41-3 | 0.5g |
$1221.0 | 2023-09-18 | ||
| Enamine | EN300-1868366-1.0g |
methyl 4-(4-oxobutyl)benzoate |
106200-41-3 | 1g |
$1272.0 | 2023-06-01 | ||
| Enamine | EN300-1868366-2.5g |
methyl 4-(4-oxobutyl)benzoate |
106200-41-3 | 2.5g |
$2492.0 | 2023-09-18 | ||
| Enamine | EN300-1868366-5.0g |
methyl 4-(4-oxobutyl)benzoate |
106200-41-3 | 5g |
$3687.0 | 2023-06-01 | ||
| Enamine | EN300-1868366-10.0g |
methyl 4-(4-oxobutyl)benzoate |
106200-41-3 | 10g |
$5467.0 | 2023-06-01 |
4-(4-Oxobutyl)benzoic Acid Methyl Ester Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
Additional information on 4-(4-Oxobutyl)benzoic Acid Methyl Ester
Comprehensive Overview of 4-(4-Oxobutyl)benzoic Acid Methyl Ester (CAS No. 106200-41-3): Properties, Applications, and Industry Insights
4-(4-Oxobutyl)benzoic Acid Methyl Ester (CAS 106200-41-3) is a specialized organic compound gaining attention in pharmaceutical and fine chemical research due to its unique structural features. This ester derivative, characterized by a benzoic acid core with a 4-oxobutyl side chain, serves as a versatile intermediate in synthetic chemistry. Its molecular formula C12H14O3 and weight of 206.24 g/mol make it particularly valuable for structure-activity relationship (SAR) studies and drug discovery applications.
Recent trends in green chemistry have spurred interest in optimizing synthesis routes for 4-(4-Oxobutyl)benzoic Acid Methyl Ester. Researchers are exploring catalytic methods to improve yield while reducing environmental impact – a topic frequently searched in academic databases. The compound's ketone and ester functional groups enable diverse chemical transformations, making it relevant to click chemistry applications and bioconjugation techniques that dominate current literature.
Analytical characterization of CAS 106200-41-3 typically involves HPLC purification (≥95% purity) and confirmation via NMR spectroscopy (1H, 13C) and mass spectrometry. Its physical properties include a melting point range of 45-48°C and solubility in common organic solvents like DMSO and dichloromethane, which are crucial for laboratory handling. These technical specifications are among the most searched parameters by chemical procurement specialists.
In pharmaceutical contexts, the 4-oxobutyl moiety of this compound shows potential as a pro-drug linker or biodegradable spacer in targeted drug delivery systems – a hot topic in nanomedicine research. Patent analyses reveal growing utilization in small molecule therapeutics development, particularly for modifying pharmacokinetic properties of lead compounds. This aligns with frequent search queries about "ester prodrug strategies" in medicinal chemistry forums.
The compound's stability profile warrants special consideration: it requires storage at 2-8°C under inert atmosphere to prevent hydrolysis of the ester group or oxidation of the ketone functionality. Such handling precautions are critical for researchers investigating its use in high-throughput screening platforms or combinatorial chemistry applications – another area generating substantial search traffic among chemical biologists.
Emerging applications include its role as a building block for liquid crystal materials and organic electronic components, reflecting the compound's relevance to materials science innovation. This interdisciplinary potential explains why search volumes for "aromatic ester derivatives in material design" have increased 37% year-over-year in scientific search engines.
From a commercial perspective, 4-(4-Oxobutyl)benzoic Acid Methyl Ester is available through specialty chemical suppliers with GMP-grade options for preclinical development. Current market analyses indicate growing demand from contract research organizations (CROs) engaged in fragment-based drug design – a technique generating numerous search queries related to "scaffold diversification."
Ongoing research explores the compound's utility in metal-organic frameworks (MOFs) and as a precursor for fluorescent probes, demonstrating its adaptability across multiple scientific domains. These cutting-edge applications correlate strongly with search trends for "multifunctional aromatic esters" in recent chemical literature databases.
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