Cas no 122225-33-6 ((2R)-2-benzyl-4-(tert-butoxy)-4-oxobutanoic acid)
(2R)-2-benzyl-4-(tert-butoxy)-4-oxobutanoic acid Chemical and Physical Properties
Names and Identifiers
-
- (R)-2-Benzyl-4-(tert-butoxy)-4-oxobutanoic acid
- (2R)-2-benzyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
- (R)-2-benzyl-4-tert-butoxy-4-oxobutanoic acid
- Butanedioic acid, 2-(phenylmethyl)-, 4-(1,1-dimethylethyl) ester, (2R)-
- (2R)-3-phenyl-2-t-butoxycarbonylmethyl-propanoic acid
- (2R)-3-tert-Butyloxycarbonyl-2-phenylmethylpropionic Acid
- (R)2-(phenylmethyl)butanedioic acid,4-(1,1-dimethylethyl)ester
- (R)-2-Benzyl-4-(te
- (R)-4-(tert-butoxy)-4-oxo-2-benzylbutanoic acid
- (S)-4-(tert-butoxy)-4-oxo-2-(1-phenylmethyl)butanoic acid
- KB-209892
- SureCN1704171
- tert-Butyl hydrogen (2-phenyl methyl)succinate
- (R)-2-Benzylbutanedioic acid 4-tert-butyl ester
- (2R)-2-Benzyl-4-tert-butoxy-4-oxobutanoic acid
- AK120487
- TWMRLCPQQCHIBH-GFCCVEGCSA-N
- 4230AA
- AB0004883
- AX8245903
- ST24035361
- (R)-3-Benzylsuccinic acid 1-tert-butyl ester
- 225B336
- (2R)-2-benz
- (2R)-2-benzyl-4-(tert-butoxy)-4-oxobutanoic acid
- AKOS016011321
- DTXSID90544387
- 122225-33-6
- SCHEMBL1704171
- DS-6203
- MFCD12755810
- CS-W007163
- (R)-2-Benzyl-4-(tert-butoxy)-4-oxobutanoicacid
- XEA22533
-
- MDL: MFCD12755810
- Inchi: 1S/C15H20O4/c1-15(2,3)19-13(16)10-12(14(17)18)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,18)/t12-/m1/s1
- InChI Key: TWMRLCPQQCHIBH-GFCCVEGCSA-N
- SMILES: O(C(C[C@H](C(=O)O)CC1C=CC=CC=1)=O)C(C)(C)C
Computed Properties
- Exact Mass: 264.13600
- Monoisotopic Mass: 264.13615911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 7
- Complexity: 311
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 63.6
- XLogP3: 2.5
Experimental Properties
- Color/Form: No data avaiable
- Density: 1.118
- Melting Point: No data available
- Boiling Point: 400.4±38.0 °C at 760 mmHg
- Flash Point: 143.8±20.3 °C
- Refractive Index: 1.516
- PSA: 63.60000
- LogP: 2.66170
- Vapor Pressure: 0.0±1.0 mmHg at 25°C
(2R)-2-benzyl-4-(tert-butoxy)-4-oxobutanoic acid Security Information
- Signal Word:Warning
- Hazard Statement: H302-H315-H319-H335
- Warning Statement: P261-P305+P351+P338
- Safety Instruction: H303+H313+H333
- Storage Condition:Sealed in dry,Room Temperature
(2R)-2-benzyl-4-(tert-butoxy)-4-oxobutanoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-GJ316-250mg |
(2R)-2-benzyl-4-(tert-butoxy)-4-oxobutanoic acid |
122225-33-6 | 97% | 250mg |
1339CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-GJ316-1g |
(2R)-2-benzyl-4-(tert-butoxy)-4-oxobutanoic acid |
122225-33-6 | 97% | 1g |
2665.0CNY | 2021-08-03 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-GJ316-100mg |
(2R)-2-benzyl-4-(tert-butoxy)-4-oxobutanoic acid |
122225-33-6 | 97% | 100mg |
639CNY | 2021-05-08 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | R847346-100mg |
(R)-2-Benzyl-4-(tert-butoxy)-4-oxobutanoic acid |
122225-33-6 | 97% | 100mg |
¥549.90 | 2022-09-28 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-GJ316-200mg |
(2R)-2-benzyl-4-(tert-butoxy)-4-oxobutanoic acid |
122225-33-6 | 97% | 200mg |
887.0CNY | 2021-08-04 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-GJ316-50mg |
(2R)-2-benzyl-4-(tert-butoxy)-4-oxobutanoic acid |
122225-33-6 | 97% | 50mg |
353.0CNY | 2021-08-04 | |
| TRC | B285120-10mg |
(R)-2-Benzyl-4-(tert-butoxy)-4-oxobutanoic Acid |
122225-33-6 | 10mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B285120-50mg |
(R)-2-Benzyl-4-(tert-butoxy)-4-oxobutanoic Acid |
122225-33-6 | 50mg |
$ 115.00 | 2022-06-07 | ||
| TRC | B285120-100mg |
(R)-2-Benzyl-4-(tert-butoxy)-4-oxobutanoic Acid |
122225-33-6 | 100mg |
$ 185.00 | 2022-06-07 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | R43960-100mg |
(R)-2-benzyl-4-(tert-butoxy)-4-oxobutanoic acid |
122225-33-6 | 100mg |
¥616.0 | 2021-09-04 |
(2R)-2-benzyl-4-(tert-butoxy)-4-oxobutanoic acid Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
Additional information on (2R)-2-benzyl-4-(tert-butoxy)-4-oxobutanoic acid
(2R)-2-Benzyl-4-(tert-butoxy)-4-oxobutanoic Acid: A Comprehensive Overview
(2R)-2-Benzyl-4-(tert-butoxy)-4-oxobutanoic acid, identified by the CAS number 122225-33-6, is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound, with its unique structural features, has garnered attention due to its potential applications in drug development and as a building block in synthetic chemistry. Recent studies have highlighted its role in various biochemical pathways, making it a focal point for researchers exploring novel therapeutic agents.
The chemical structure of (2R)-2-Benzyl-4-(tert-butoxy)-4-oxobutanoic acid comprises a chiral center at the second carbon atom, which is substituted with a benzyl group. The fourth carbon atom bears both a tert-butoxy group and a ketone functional group, while the carboxylic acid group is positioned at the terminal end of the carbon chain. This arrangement confers the molecule with a combination of hydrophobic and hydrophilic properties, enhancing its versatility in different chemical environments.
Recent advancements in synthetic methodologies have enabled the efficient synthesis of (2R)-benzyl-substituted compounds. For instance, asymmetric catalysis techniques have been employed to achieve high enantiomeric excess in the preparation of this compound. Such approaches not only improve yield but also facilitate the exploration of stereochemical effects on biological activity.
In terms of pharmacological applications, (2R)-benzyl derivatives have shown promise in modulating enzyme activity and receptor binding. A study published in 2023 demonstrated that this compound exhibits selective inhibition against certain kinases, suggesting its potential as a lead compound for anti-cancer drug development. Furthermore, its ability to penetrate cellular membranes efficiently makes it an attractive candidate for targeted drug delivery systems.
The physical properties of CAS No. 122225-33-6 are also noteworthy. With a molecular weight of approximately 308 g/mol and a melting point around 150°C, this compound demonstrates stability under moderate thermal conditions. Its solubility profile, particularly in organic solvents such as dichloromethane and ethyl acetate, facilitates its use in various extraction and purification processes within the pharmaceutical industry.
Recent research has also explored the environmental impact of (R)-configured benzyl compounds. Studies indicate that these compounds undergo biodegradation under aerobic conditions, reducing their persistence in aquatic ecosystems. This information is crucial for assessing their safety profile and ensuring sustainable practices in chemical manufacturing.
In conclusion, (2R)-benzyl-substituted butanoic acids, represented by CAS No. 122225-33-6, continue to be a subject of intense research due to their unique chemical properties and potential therapeutic applications. As advancements in synthetic techniques and biological screening methods unfold, this compound is poised to play an increasingly significant role in the development of innovative pharmaceutical agents.
122225-33-6 ((2R)-2-benzyl-4-(tert-butoxy)-4-oxobutanoic acid) Related Products
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