Cas no 40641-90-5 (2-(4-Cyclopropylphenyl)acetic acid)
2-(4-Cyclopropylphenyl)acetic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-Cyclopropylphenylacetic acid
- 2-(4-cyclopropylphenyl)acetic acid
- 2-(2-HYDROXYMETHYL-PHENOXY)-N-(2-METHOXY-PHENYL)-ACETAMIDE
- p-Cyclopropylphenylessigsaeure
- p-Cyclopropylphenylacetic acid
- Benzeneacetic acid, 4-cyclopropyl-
- Benzeneaceticacid,4-cyclopropyl-
- (4-cyclopropylphenyl)acetic acid
- GPLBEAZWBXIBCQ-UHFFFAOYSA-N
- BCP20265
- Y6219
- CS-B1080
- 2-(4-Cyclopropylphenyl)aceticacid
- SCHEMBL925698
- DA-06075
- AKOS006372005
- Z1198727367
- EN300-1707742
- 40641-90-5
- AC-33694
- MFCD18452123
- SY102961
- AS-39412
- A1-03125
- 2-(4-Cyclopropylphenyl)acetic acid
-
- MDL: MFCD18452123
- Inchi: 1S/C11H12O2/c12-11(13)7-8-1-3-9(4-2-8)10-5-6-10/h1-4,10H,5-7H2,(H,12,13)
- InChI Key: GPLBEAZWBXIBCQ-UHFFFAOYSA-N
- SMILES: OC(CC1C=CC(=CC=1)C1CC1)=O
Computed Properties
- Exact Mass: 176.08400
- Monoisotopic Mass: 176.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 188
- 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: 2.4
- Topological Polar Surface Area: 37.3
Experimental Properties
- Density: 1.216±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: Not available
- Boiling Point: 334.3±11.0 °C at 760 mmHg
- Flash Point: 231.3±14.4 °C
- Solubility: Very slightly soluble (0.53 g/l) (25 o C),
- PSA: 37.30000
- LogP: 2.19110
- Vapor Pressure: 0.0±0.8 mmHg at 25°C
2-(4-Cyclopropylphenyl)acetic 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)
2-(4-Cyclopropylphenyl)acetic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM319269-1g |
2-(4-Cyclopropylphenyl)acetic acid |
40641-90-5 | 95% | 1g |
$397 | 2021-06-15 | |
| Alichem | A019109907-250mg |
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40641-90-5 | 95% | 250mg |
$189.88 | 2023-09-02 | |
| Alichem | A019109907-1g |
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40641-90-5 | 95% | 1g |
$485.13 | 2023-09-02 | |
| Alichem | A019109907-5g |
2-(4-Cyclopropylphenyl)acetic acid |
40641-90-5 | 95% | 5g |
$1680.96 | 2023-09-02 | |
| CHENG DOU FEI BO YI YAO Technology Co., Ltd. | ARK-1517-1g |
2-(4-cyclopropylphenyl)acetic acid |
40641-90-5 | 95% | 1g |
$240 | 2023-09-07 | |
| Apollo Scientific | OR451113-1g |
4-Cyclopropylphenylacetic acid |
40641-90-5 | 95% | 1g |
£450.00 | 2025-02-20 | |
| abcr | AB456111-250 mg |
2-(4-Cyclopropylphenyl)acetic acid; 95% |
40641-90-5 | 250mg |
€437.20 | 2023-04-22 | ||
| abcr | AB456111-1 g |
2-(4-Cyclopropylphenyl)acetic acid; 95% |
40641-90-5 | 1g |
€893.20 | 2023-04-22 | ||
| CHENG DOU FEI BO YI YAO Technology Co., Ltd. | ARK-1517-5g |
2-(4-cyclopropylphenyl)acetic acid |
40641-90-5 | 95% | 5g |
$720 | 2023-09-07 | |
| eNovation Chemicals LLC | Y0997098-5g |
2-(4-cyclopropylphenyl)acetic acid |
40641-90-5 | 95% | 5g |
$1480 | 2024-08-02 |
2-(4-Cyclopropylphenyl)acetic acid Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Somenath Panda,Kaushik Kundu,Anusha Basaiahgari,Sanjib Senapati,Ramesh L. Gardas New J. Chem., 2018,42, 7105-7118
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
Additional information on 2-(4-Cyclopropylphenyl)acetic acid
Introduction to 2-(4-Cyclopropylphenyl)acetic acid (CAS No. 40641-90-5)
2-(4-Cyclopropylphenyl)acetic acid, identified by its Chemical Abstracts Service (CAS) number 40641-90-5, is a significant compound in the realm of pharmaceutical chemistry and bioorganic synthesis. This molecule, characterized by its cyclopropyl-substituted phenyl ring and a terminal acetic acid moiety, has garnered attention due to its structural versatility and potential biological activities. The presence of the cyclopropyl group introduces steric hindrance, which can influence both the reactivity and the pharmacokinetic properties of the compound, making it a valuable scaffold for drug discovery efforts.
The structural motif of 2-(4-Cyclopropylphenyl)acetic acid is particularly intriguing from a synthetic chemistry perspective. The aromatic ring system, coupled with the acetic acid functionality, provides multiple sites for chemical modification, enabling the development of derivatives with tailored properties. This flexibility has been exploited in various research endeavors, including the synthesis of novel agrochemicals and potential therapeutic agents.
In recent years, there has been a growing interest in exploring the pharmacological potential of compounds featuring cyclopropyl groups. These groups are known to enhance binding affinity and metabolic stability, attributes that are highly desirable in drug design. 2-(4-Cyclopropylphenyl)acetic acid serves as a prime example of how such structural features can be integrated into molecular frameworks to yield compounds with improved pharmacological profiles.
One of the most compelling aspects of 2-(4-Cyclopropylphenyl)acetic acid is its role as a precursor in the synthesis of more complex molecules. Researchers have leveraged this compound to develop inhibitors targeting various biological pathways. For instance, derivatives of this scaffold have been investigated for their potential in modulating enzyme activity, which could lead to novel treatments for metabolic disorders and inflammatory conditions.
The acetic acid moiety in 2-(4-Cyclopropylphenyl)acetic acid also contributes to its utility in medicinal chemistry. Acetic acid derivatives are well-documented for their ability to interact with biological targets such as receptors and enzymes. This functionality has been harnessed in the design of molecules that exhibit potent effects on physiological processes. The cyclopropyl group further enhances these interactions by optimizing binding geometry and reducing unwanted side effects.
Recent advancements in computational chemistry have enabled more efficient screening of compounds like 2-(4-Cyclopropylphenyl)acetic acid for biological activity. High-throughput virtual screening (HTVS) and molecular docking studies have identified several promising derivatives with enhanced efficacy and selectivity. These computational approaches have accelerated the drug discovery process, allowing researchers to focus on the most promising candidates for further experimental validation.
The synthesis of 2-(4-Cyclopropylphenyl)acetic acid itself is an elegant demonstration of modern organic chemistry techniques. The introduction of the cyclopropyl group at the para position relative to the acetic acid functionality requires precise control over reaction conditions to ensure high yield and purity. Advanced catalytic methods, including transition metal-catalyzed cross-coupling reactions, have been instrumental in achieving these synthetic goals.
From a broader perspective, 2-(4-Cyclopropylphenyl)acetic acid exemplifies the importance of structural diversity in pharmaceutical research. By modifying various functional groups within its framework, chemists can generate libraries of compounds with diverse biological activities. This approach has been successful in identifying lead compounds for further optimization, ultimately leading to new therapeutic agents that address unmet medical needs.
The compound's relevance extends beyond academic research; it has also attracted attention from industrial pharmaceutical companies seeking novel molecular entities for drug development. The combination of structural complexity and known bioactivity makes 2-(4-Cyclopropylphenyl)acetic acid an attractive candidate for further exploration in both preclinical and clinical settings.
In conclusion, 2-(4-Cyclopropylphenyl)acetic acid (CAS No. 40641-90-5) represents a significant advancement in pharmaceutical chemistry. Its unique structural features, coupled with its potential biological activities, make it a valuable tool for researchers aiming to develop innovative therapeutic solutions. As our understanding of molecular interactions continues to evolve, compounds like this will undoubtedly play a pivotal role in shaping the future of drug discovery and development.
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