Cas no 69043-96-5 (METHYL 2-BROMOBUTYRATE)
METHYL 2-BROMOBUTYRATE Chemical and Physical Properties
Names and Identifiers
-
- METHYL 2-BROMOBUTYRATE
- DL-METHYL 2-BROMOBUTYRATE
- METHYL 2-BROMO-N-BUTYRATE
- METHYL 2-BROMOBUTANOATE
- ALPHA-BROMOBUTYRIC ACID METHYL ESTER
- 2-BROMO-N-BUTYRIC ACID METHYL ESTER
- Butanoic acid, 2-bromo-, methyl ester
- Einecs 221-699-0
- Nsc 21974
- 1,2-Benzenedicarboxylic acid, mixed isooctyl and 2-phenoxyethyl esters
- 2-(2-phenoxyethoxycarbonyl)benzoic acid
- 2-[(2-phenoxyethoxy)carbonyl]benzoic acid- 2-[(octan-2-yloxy)carbonyl]benzoic acid(1:1)
- 2-bromobutanoic acid methyl ester
- 2-bromobutylic acid methyl ester
- 2-octan-2-yloxyca
- A836327
- AC1L36HC
- AC1Q5U76
- AR-1D5651
- CTK8D6425
- EINECS 269-079-9
- methyl bromobutyrate
- methyl ester of 2-bromobutyric acid
- SCHEMBL532563
- ?2-Bromobutyric acid methyl ester
- NSC-21974
- Q-201370
- AS-18287
- Methyl-2-bromobutyrate
- 3196-15-4
- Methylaethylbromessigester
- Methyl 2-bromobutanoate #
- 2-Bromobutyric Acid Methyl Ester
- FT-0611545
- SY302281
- MFCD00009666
- 2-bromobutyrate-methyl ester
- METHYL2-BROMOBUTYRATE
- NS00045042
- Methyl 2-bromobutyrate, 97%
- FT-0628433
- AM20090460
- F2190-0282
- InChI=1/C5H9BrO2/c1-3-4(6)5(7)8-2/h4H,3H2,1-2H
- methyl-2-bromobutanoate
- H11989
- DTXSID50863122
- 2-Bromobutyricacidmethylester
- AKOS016842317
- B1462
- NSC21974
- EN300-24393
- methyl alpha-bromobutyrate
- AKOS001270829
- MFCD20622163
- 69043-96-5
- 2-bromo-butyric acid methyl ester
- CS-W017174
- a-Bromobutanoic acid methyl ester
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- Inchi: 1S/C5H9BrO2/c1-3-4(6)5(7)8-2/h4H,3H2,1-2H3
- InChI Key: UFQQDNMQADCHGH-UHFFFAOYSA-N
- SMILES: BrC(C(=O)OC)CC
Computed Properties
- Exact Mass: 179.97857
- Monoisotopic Mass: 179.978592
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 41
- Rotatable Bond Count: 16
- Complexity: 662
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
Experimental Properties
- Color/Form: Light yellow transparent liquid.
- Density: 1.573?g/mL?at 25?°C(lit.)
- Boiling Point: 137-138?°C50?mm Hg(lit.)
- Flash Point: 155?°F
- Refractive Index: n20/D 1.452(lit.)
- PSA: 26.3
- LogP: 1.33290
- Solubility: Not determined.
METHYL 2-BROMOBUTYRATE Security Information
- Hazardous Material transportation number:UN 3265 8/PG 3
- WGK Germany:3
- Hazard Category Code: 34
- Safety Instruction: 26-36/37/39-45
- FLUKA BRAND F CODES:19
-
Hazardous Material Identification:
- HazardClass:8
- PackingGroup:III
- Packing Group:III
METHYL 2-BROMOBUTYRATE Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| City Chemical | 1634CC-500GM |
Methyl 2-Bromobutyrate |
69043-96-5 | 97.0%(GC) | 500gm |
$569.73 | 2023-09-19 | |
| 1PlusChem | 1P003763-5g |
Butanoic acid, 2-bromo-, methyl ester |
69043-96-5 | 98% | 5g |
$64.00 | 2024-04-22 | |
| 1PlusChem | 1P003763-10g |
Butanoic acid, 2-bromo-, methyl ester |
69043-96-5 | 98% | 10g |
$76.00 | 2024-04-22 | |
| A2B Chem LLC | AB48459-5g |
Butanoic acid, 2-bromo-, methyl ester |
69043-96-5 | 98% | 5g |
$34.00 | 2024-04-19 | |
| A2B Chem LLC | AB48459-10g |
Butanoic acid, 2-bromo-, methyl ester |
69043-96-5 | 98% | 10g |
$49.00 | 2024-04-19 |
METHYL 2-BROMOBUTYRATE Suppliers
METHYL 2-BROMOBUTYRATE Related Literature
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Beibei Lu,Lei Li,Jianning Wu,Lulu Wei,Jun Hou,Zhiyong Liu,Xuhong Guo New J. Chem. 2016 40 8397
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Thomas Hjelmgaard,David Tanner Org. Biomol. Chem. 2006 4 1796
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Beibei Lu,Yuanbin Li,Zhenyuan Wang,Binshen Wang,Xi Pan,Weiwei Zhao,Xing Ma,Jiaheng Zhang New J. Chem. 2019 43 12275
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4. Synthesis of N,N-bis(silyloxy)enamines with a functionalized double bondAlexander D. Dilman,Alexander A. Tishkov,Il’ya M. Lyapkalo,Sema L. Ioffe,Vadim V. Kachala,Yury A. Strelenko,Vladimir A. Tartakovsky double bond. Alexander D. Dilman Alexander A. Tishkov Il’ya M. Lyapkalo Sema L. Ioffe Vadim V. Kachala Yury A. Strelenko Vladimir A. Tartakovsky J. Chem. Soc. Perkin Trans. 1 2000 2926
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5. Reactions of dianions of acyclic β-enamino ketones with electrophiles. Part 5. Esters: synthesis of pyridin-4-one and pyran-4-one derivativesGiuseppe Bartoli,Marcella Bosco,Cristina Cimarelli,Renato Dalpozzo,Giuseppe Guercio,Gianni Palmieri J. Chem. Soc. Perkin Trans. 1 1993 2081
Additional information on METHYL 2-BROMOBUTYRATE
METHYL 2-BROMOBUTYRATE (CAS No. 69043-96-5): A Versatile Intermediate in Modern Chemical Synthesis
METHYL 2-BROMOBUTYRATE, identified by its Chemical Abstracts Service registry number CAS No. 69043-96-5, is a significant compound in the realm of organic chemistry and pharmaceutical research. This ester, characterized by a brominated side chain, serves as a crucial intermediate in the synthesis of various bioactive molecules, including pharmaceuticals and agrochemicals. Its unique structural properties make it particularly valuable in the development of novel compounds with potential therapeutic applications.
The molecular structure of Methyl 2-bromobutyrate consists of a butyric acid backbone with a bromine atom substituting at the second carbon position. This substitution imparts distinct reactivity, making it an excellent candidate for nucleophilic substitution reactions, such as Suzuki-Miyaura cross-coupling and Stille coupling, which are widely employed in the construction of complex organic molecules. The presence of the bromine atom also facilitates its use in radical reactions, further expanding its synthetic utility.
In recent years, there has been growing interest in the applications of Methyl 2-bromobutyrate within the pharmaceutical industry. Its role as a precursor in the synthesis of active pharmaceutical ingredients (APIs) has been explored extensively. For instance, it has been utilized in the preparation of nonsteroidal anti-inflammatory drugs (NSAIDs) and other therapeutic agents that target inflammatory pathways. The brominated moiety allows for further functionalization, enabling chemists to tailor the molecule's properties for specific biological activities.
One particularly notable area of research involves the use of Methyl 2-bromobutyrate in the development of peptide mimetics. Peptides are essential biological molecules that play a critical role in numerous physiological processes. However, their susceptibility to enzymatic degradation limits their therapeutic use. By incorporating modified building blocks like Methyl 2-bromobutyrate into peptide sequences, researchers can enhance stability and bioavailability. This approach has led to the discovery of novel compounds with improved pharmacokinetic profiles.
The agrochemical sector also benefits from the versatility of Methyl 2-bromobutyrate. Its incorporation into pesticide formulations has shown promise in enhancing their efficacy while reducing environmental impact. By serving as a key intermediate in synthesizing bioactive agrochemicals, this compound contributes to sustainable agricultural practices. The ability to modify its structure allows for the development of compounds that target specific pests without harming beneficial organisms.
Advances in synthetic methodologies have further underscored the importance of Methyl 2-bromobutyrate. Modern techniques, such as flow chemistry and microwave-assisted synthesis, have enabled more efficient and scalable production processes. These innovations not only improve yield but also reduce waste, aligning with green chemistry principles. The compound's adaptability to these emerging technologies makes it a cornerstone in modern synthetic chemistry.
The future prospects for Methyl 2-bromobutyrate are promising, with ongoing research uncovering new applications and refining existing ones. As the demand for high-performance chemical intermediates grows, this compound is poised to play an increasingly significant role in drug discovery and material science. Its unique reactivity and structural flexibility ensure its continued relevance in both academic and industrial settings.
In conclusion, Methyl 2-bromobutyrate (CAS No. 69043-96-5) is a multifaceted compound with far-reaching implications across multiple scientific disciplines. Its contributions to pharmaceuticals, agrochemicals, and materials science highlight its indispensable role in modern chemistry. As research progresses and new methodologies emerge, the potential applications of this compound will undoubtedly expand, solidifying its position as a vital intermediate in chemical synthesis.
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