Cas no 19967-55-6 (1-bromo-3-methyl-butan-2-one)

1-Bromo-3-methylbutan-2-one (CAS 1450-75-5) is a brominated ketone derivative with the molecular formula C?H?BrO. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its reactive bromine and carbonyl groups enable efficient functionalization, making it valuable for alkylation, condensation, and nucleophilic substitution reactions. The compound exhibits moderate stability under controlled conditions and is typically handled in inert environments to prevent decomposition. Its well-defined structure and reactivity profile make it a preferred choice for researchers requiring precise synthetic modifications. Proper storage at low temperatures and protection from light are recommended to maintain its integrity.
1-bromo-3-methyl-butan-2-one structure
1-bromo-3-methyl-butan-2-one structure
Product Name:1-bromo-3-methyl-butan-2-one
CAS No:19967-55-6
MF:C5H9BrO
MW:165.028361082077
MDL:MFCD00015716
CID:51435
PubChem ID:10899037
Update Time:2025-06-07

1-bromo-3-methyl-butan-2-one Chemical and Physical Properties

Names and Identifiers

    • 1-Bromo-3-methyl-2-butanone
    • Bromomethyl isopropyl ketone
    • Isopropyl bromomethyl ketone
    • 1-bromo-3-methyl butan-2-one
    • 2-Butanone, 1-bromo-3-methyl-
    • 1-bromo-3-methylbutan-2-one
    • 1-bromo-3-methyl-butan-2-one
    • NNTPEAXKKUPBHQ-UHFFFAOYSA-N
    • zlchem 618
    • 2-Bromo-1-isopropylethanone
    • 1-bromo-3methylbutan-2-one
    • BUT026
    • ZLD0068
    • EBD2217937
    • ST2403372
    • AB0003310
    • W42
    • SCHEMBL314018
    • FT-0650703
    • SY022725
    • DTXSID90447581
    • 19967-55-6
    • AKOS006230498
    • A4372
    • EN300-72257
    • GS-4125
    • CS-0020096
    • MFCD00015716
    • DB-009144
    • MDL: MFCD00015716
    • Inchi: 1S/C5H9BrO/c1-4(2)5(7)3-6/h4H,3H2,1-2H3
    • InChI Key: NNTPEAXKKUPBHQ-UHFFFAOYSA-N
    • SMILES: BrCC(C(C)C)=O

Computed Properties

  • Exact Mass: 163.98400
  • Monoisotopic Mass: 163.98368g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 2
  • Complexity: 68.5
  • 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
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 1.8
  • Topological Polar Surface Area: 17.1

Experimental Properties

  • Color/Form: Colorless liquid
  • Density: 1.355
  • Boiling Point: 164 oC
  • Flash Point: 56 oC
  • Refractive Index: 1.4685
  • PSA: 17.07000
  • LogP: 1.60640

1-bromo-3-methyl-butan-2-one Customs Data

  • HS CODE:2914700090
  • Customs Data:

    China Customs Code:

    2914700090

    Overview:

    2914700090 Halogenation of other ketones and quinones\Sulfonated derivative(Including nitrated and nitrosative derivatives). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

1-bromo-3-methyl-butan-2-one Pricemore >>

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1-bromo-3-methyl-butan-2-one Production Method

1-bromo-3-methyl-butan-2-one Suppliers

Suzhou Senfeida Chemical Co., Ltd
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(CAS:19967-55-6)1-Bromo-3-methyl-2-butanone
Order Number:sfd5968
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:34
Price ($):discuss personally
Amadis Chemical Company Limited
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Audited Supplier Audited Supplier
(CAS:19967-55-6)1-bromo-3-methyl-butan-2-one
Order Number:A4372
Stock Status:in Stock
Quantity:25g/10g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:03
Price ($):404.0/197.0

1-bromo-3-methyl-butan-2-one Related Literature

Additional information on 1-bromo-3-methyl-butan-2-one

1-Bromo-3-Methylbutan-2-One (CAS No. 19967-55-6): A Comprehensive Overview

1-Bromo-3-methylbutan-2-one, also known by its CAS number 19967-55-6, is a versatile organic compound that has garnered significant attention in the fields of organic synthesis, pharmaceuticals, and materials science. This compound, with the molecular formula C?H?BrO, is a brominated ketone that exhibits unique chemical properties, making it a valuable intermediate in various industrial and research applications. Recent advancements in synthetic chemistry have further highlighted its potential in the development of novel compounds with tailored functionalities.

The structure of 1-bromo-3-methylbutan-2-one consists of a four-carbon chain with a ketone group at the second position and a bromine atom at the first position. The methyl group attached to the third carbon introduces steric hindrance, which can influence the reactivity of the compound in different chemical transformations. This structural feature has been exploited in numerous studies to design selective reactions, such as nucleophilic substitutions and enolate formations, which are pivotal in organic synthesis.

Recent research has focused on the use of 1-bromo-3-methylbutan-2-one as a key intermediate in the synthesis of bioactive molecules. For instance, studies have demonstrated its utility in the construction of complex natural product analogs, where its bromine atom serves as an excellent leaving group for substitution reactions. Moreover, its ketone functionality allows for further derivatization, enabling the creation of diverse chemical libraries for drug discovery.

In the context of materials science, 1-bromo-3-methylbutan-2-one has been employed as a precursor for the synthesis of advanced polymers and coatings. Its ability to undergo controlled polymerization reactions has led to the development of materials with enhanced mechanical and thermal properties. Recent breakthroughs in this area have been documented in high-profile journals, underscoring its importance as a building block for functional materials.

The synthesis of 1-bromo-3-methylbutan-2-one has also been optimized through green chemistry approaches. Traditional methods often involved multi-step procedures with hazardous reagents; however, modern techniques now favor more efficient and environmentally friendly protocols. For example, recent studies have reported the use of microwave-assisted synthesis to achieve higher yields and shorter reaction times, aligning with current trends toward sustainable chemical practices.

From an analytical perspective, 1-bromo-3-methylbutan-2-one has been extensively studied using advanced spectroscopic techniques such as NMR and IR spectroscopy. These studies have provided deeper insights into its molecular conformation and reactivity under various conditions. Additionally, computational chemistry methods have been employed to predict its electronic properties and reaction pathways, further enhancing our understanding of this compound.

In conclusion, 1-bromo-3-methylbutan-2-one (CAS No. 19967-55-6) stands out as a critical compound in contemporary chemical research. Its unique structure and reactivity make it an indispensable tool in organic synthesis, drug discovery, and materials science. As research continues to uncover new applications and optimized synthetic routes for this compound, its role in advancing chemical innovation is set to grow even further.

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:19967-55-6)1-Bromo-3-methyl-2-butanone
sfd5968
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email
Amadis Chemical Company Limited
(CAS:19967-55-6)1-bromo-3-methyl-butan-2-one
A4372
Purity:99%/99%
Quantity:25g/10g
Price ($):404.0/197.0
Email