Cas no 23185-24-2 (methyl 3-chloro-2-methyl-3-oxopropanoate)
methyl 3-chloro-2-methyl-3-oxopropanoate Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 3-chloro-2-methyl-3-oxo-, methyl ester
- methyl 3-chloro-2-methyl-3-oxopropanoate
- starbld0043014
- DTXSID40462906
- 23185-24-2
- SCHEMBL238964
- EN300-2009006
-
- MDL: MFCD28655969
- Inchi: 1S/C5H7ClO3/c1-3(4(6)7)5(8)9-2/h3H,1-2H3
- InChI Key: OWRCJIZVGNZKDU-UHFFFAOYSA-N
- SMILES: ClC(C(C(=O)OC)C)=O
Computed Properties
- Exact Mass: 150.00841
- Monoisotopic Mass: 150.0083718g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 132
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
methyl 3-chloro-2-methyl-3-oxopropanoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-2009006-1g |
methyl 3-chloro-2-methyl-3-oxopropanoate |
23185-24-2 | 95% | 1g |
$842.0 | 2023-09-16 | |
| Enamine | EN300-2009006-5g |
methyl 3-chloro-2-methyl-3-oxopropanoate |
23185-24-2 | 95% | 5g |
$2443.0 | 2023-09-16 | |
| Enamine | EN300-2009006-10g |
methyl 3-chloro-2-methyl-3-oxopropanoate |
23185-24-2 | 95% | 10g |
$3622.0 | 2023-09-16 | |
| Enamine | EN300-2009006-0.05g |
methyl 3-chloro-2-methyl-3-oxopropanoate |
23185-24-2 | 95% | 0.05g |
$197.0 | 2023-09-16 | |
| Enamine | EN300-2009006-0.1g |
methyl 3-chloro-2-methyl-3-oxopropanoate |
23185-24-2 | 95% | 0.1g |
$293.0 | 2023-09-16 | |
| Enamine | EN300-2009006-0.25g |
methyl 3-chloro-2-methyl-3-oxopropanoate |
23185-24-2 | 95% | 0.25g |
$418.0 | 2023-09-16 | |
| Enamine | EN300-2009006-0.5g |
methyl 3-chloro-2-methyl-3-oxopropanoate |
23185-24-2 | 95% | 0.5g |
$656.0 | 2023-09-16 | |
| Enamine | EN300-2009006-1.0g |
methyl 3-chloro-2-methyl-3-oxopropanoate |
23185-24-2 | 95% | 1g |
$842.0 | 2023-06-01 | |
| Enamine | EN300-2009006-2.5g |
methyl 3-chloro-2-methyl-3-oxopropanoate |
23185-24-2 | 95% | 2.5g |
$1650.0 | 2023-09-16 | |
| Enamine | EN300-2009006-5.0g |
methyl 3-chloro-2-methyl-3-oxopropanoate |
23185-24-2 | 95% | 5g |
$2443.0 | 2023-06-01 |
methyl 3-chloro-2-methyl-3-oxopropanoate Related Literature
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
Additional information on methyl 3-chloro-2-methyl-3-oxopropanoate
Comprehensive Guide to Methyl 3-Chloro-2-methyl-3-oxopropanoate (CAS No. 23185-24-2): Properties, Applications, and Industry Insights
Methyl 3-chloro-2-methyl-3-oxopropanoate (CAS No. 23185-24-2) is a versatile organic ester widely utilized in pharmaceutical intermediates, agrochemical synthesis, and specialty chemical manufacturing. This compound, characterized by its chloro and ester functional groups, has garnered significant attention due to its role in facilitating carbon-carbon bond formation and chiral synthesis. Its molecular formula, C5H7ClO3, reflects a balance of reactivity and stability, making it valuable for fine chemical applications.
In recent years, the demand for methyl 3-chloro-2-methyl-3-oxopropanoate has surged alongside advancements in green chemistry and sustainable synthesis. Researchers and manufacturers are increasingly exploring its potential in biocatalysis and flow chemistry, aligning with global trends toward eco-friendly production. A common query in scientific forums is: "How can this compound optimize multistep synthesis while minimizing waste?" Studies suggest its compatibility with enzymatic reactions and microwave-assisted synthesis offers promising solutions.
The compound’s physicochemical properties include a boiling point of ~210°C and moderate solubility in polar solvents like ethanol and acetone. These traits make it suitable for high-temperature reactions and solvent-based formulations. Notably, its α-chloroketone moiety enables diverse transformations, such as nucleophilic substitutions and cyclization reactions, which are critical in producing heterocyclic compounds for drug discovery.
From an industrial perspective, CAS 23185-24-2 is often discussed in contexts like scale-up challenges and cost-effective purification. Innovations in continuous manufacturing and crystallization techniques have addressed these concerns, as highlighted in patents focusing on yield optimization. Furthermore, its role in synthesizing flavor and fragrance ingredients underscores its cross-industry relevance.
Safety and handling of methyl 3-chloro-2-methyl-3-oxopropanoate adhere to standard laboratory protocols, with emphasis on ventilation and personal protective equipment (PPE). While not classified as hazardous under normal conditions, its reactivity profile warrants precautions during storage (cool, dry environments) and transport. Regulatory compliance, such as REACH and FDA guidelines, ensures its safe use in GMP-certified facilities.
Emerging applications include its integration into photoredox catalysis and metal-organic frameworks (MOFs), areas gaining traction in materials science. As synthetic methodologies evolve, CAS 23185-24-2 continues to inspire research into atom-efficient pathways and catalytic asymmetric synthesis, answering the growing demand for high-purity intermediates.
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