Cas no 937678-69-8 (Methyl 5-bromo-2-(isobutylamino)benzoate)
Methyl 5-bromo-2-(isobutylamino)benzoate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 5-bromo-2-(isobutylamino)benzoate
- methyl 5-bromo-2-(2-methylpropylamino)benzoate
- Methyl5-bromo-2-(isobutylamino)benzoate
- DTXSID80596395
- A844703
- 937678-69-8
- FT-0659113
- AKOS002668430
- Methyl 5-bromo-2-[(2-methylpropyl)amino]benzoate
- DB-079684
-
- MDL： MFCD08754955
- Inchi： 1S/C12H16BrNO2/c1-8(2)7-14-11-5-4-9(13)6-10(11)12(15)16-3/h4-6,8,14H,7H2,1-3H3
- InChI Key： UDVQKXNCRGDQBT-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=C(C(=O)OC)C=1)NCC(C)C
Computed Properties
- Exact Mass: 285.036
- Monoisotopic Mass: 285.036
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 233
- 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
- Topological Polar Surface Area: 38.3A^2
- XLogP3: 4.3
Experimental Properties
- Density: 1.344
- Boiling Point: 338.369°C at 760 mmHg
- Flash Point: 158.44°C
- Refractive Index: 1.563
Methyl 5-bromo-2-(isobutylamino)benzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019099184-1g |
Methyl 5-bromo-2-(isobutylamino)benzoate |
937678-69-8 | 95% | 1g |
$400.00 | 2023-08-31 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1749799-1g |
Methyl 5-bromo-2-(isobutylamino)benzoate |
937678-69-8 | 98% | 1g |
￥2056.00 | 2024-04-24 | |
| Ambeed | A473370-1g |
Methyl 5-bromo-2-(isobutylamino)benzoate |
937678-69-8 | 95+% | 1g |
$226.0 | 2025-04-15 | |
| eNovation Chemicals LLC | K19753-5g |
methyl 5-bromo-2-(isobutylamino)benzoate |
937678-69-8 | 95% | 5g |
$595 | 2023-09-04 |
Methyl 5-bromo-2-(isobutylamino)benzoate Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
Additional information on Methyl 5-bromo-2-(isobutylamino)benzoate
Methyl 5-bromo-2-(isobutylamino)benzoate
Methyl 5-bromo-2-(isobutylamino)benzoate (CAS No. 937678-69-8) is a compound of significant interest in the field of organic chemistry and pharmacology. This compound, also referred to as 5-bromo-N-isobutyl-2-methoxycarbonylbenzamide, has garnered attention due to its unique structural properties and potential applications in drug development and material science.
The molecular structure of Methyl 5-bromo-2-(isobutylamino)benzoate consists of a benzoate moiety with a methyl ester group at position 2, a bromine atom at position 5, and an isobutylamino group attached at position 2. This configuration imparts the compound with distinct electronic and steric properties, making it a valuable substrate for various chemical reactions and biological assays.
Recent studies have highlighted the potential of Methyl 5-bromo-2-(isobutylamino)benzoate as a precursor in the synthesis of bioactive molecules. For instance, researchers have explored its role in the development of anti-inflammatory agents and anticancer drugs. The bromine substituent at position 5 plays a crucial role in modulating the compound's reactivity, while the isobutylamino group enhances its solubility and bioavailability.
In terms of synthesis, several methods have been reported for the preparation of Methyl 5-bromo-2-(isobutylamino)benzoate. One common approach involves the nucleophilic substitution of bromine atoms on aromatic rings, followed by esterification with methyl groups. Recent advancements in catalytic methods have further optimized this process, enabling higher yields and improved purity.
The application of Methyl 5-bromo-2-(isobutylamino)benzoate extends beyond pharmaceuticals. Its use in material science has been explored for applications such as polymer additives and advanced coatings. The compound's ability to form stable complexes with metal ions has also been leveraged in catalysis and sensor technology.
From an environmental perspective, the ecological impact of Methyl 5-bromo-2-(isobutylamino)benzoate has been a subject of recent research. Studies indicate that its biodegradation pathways are influenced by both abiotic and biotic factors, with microbial activity playing a significant role in its decomposition.
In conclusion, Methyl 5-bromo-2-(isobutylamino)benzoate (CAS No. 937678-69-8) stands out as a versatile compound with diverse applications across multiple disciplines. Its unique chemical properties and potential for further functionalization make it an exciting area of ongoing research.
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