Cas no 69043-96-5 (METHYL 2-BROMOBUTYRATE)

METHYL 2-BROMOBUTYRATE (CAS 3196-15-4) is a brominated ester commonly utilized as a versatile intermediate in organic synthesis. Its reactive α-bromo carbonyl structure makes it valuable for nucleophilic substitution reactions, enabling the introduction of butyrate derivatives into target molecules. The compound is particularly useful in pharmaceutical and agrochemical research for constructing chiral centers or as a precursor in the synthesis of active ingredients. Its liquid form and moderate volatility facilitate handling under standard laboratory conditions. The ester group enhances solubility in organic solvents, ensuring compatibility with diverse reaction conditions. Proper storage under inert conditions is recommended to maintain stability.
METHYL 2-BROMOBUTYRATE structure
METHYL 2-BROMOBUTYRATE structure
Product Name:METHYL 2-BROMOBUTYRATE
CAS No:69043-96-5
MF:C5H9BrO2
MW:181.027761220932
CID:841099
PubChem ID:95577
Update Time:2025-05-20

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
    • 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: C
  • HazardClass:8
  • PackingGroup:III
  • Packing Group:III

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METHYL 2-BROMOBUTYRATE Suppliers

Suzhou Senfeida Chemical Co., Ltd
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(CAS:69043-96-5)METHYL 2-BROMOBUTYRATE
Order Number:sfd13087
Stock Status:in Stock
Quantity:200KG
Purity:99%
Pricing Information Last Updated:Friday, 19 July 2024 14:36
Price ($):discuss personally

METHYL 2-BROMOBUTYRATE Related Literature

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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Suzhou Senfeida Chemical Co., Ltd
(CAS:69043-96-5)METHYL 2-BROMOBUTYRATE
sfd13087
Purity:99%
Quantity:200KG
Price ($):Inquiry
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