Cas no 27868-56-0 (2-methyl-2-(methylsulfanyl)propanoic acid)
2-methyl-2-(methylsulfanyl)propanoic acid Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2-methyl-2-(methylthio)-
- 2-methyl-2-methylsulfanylpropanoic acid
- 2-methyl-2-(methylsulfanyl)propanoic acid
- 27868-56-0
- a-methylmercaptoisobutyric acid
- AKOS010598331
- AT27749
- 2-Methyl-2-(methylsulfanyl)propanoicacid
- MFCD14638081
- 2-METHYL-2-(METHYLTHIO)PROPANOIC ACID
- CBA86856
- Z803544000
- SCHEMBL1717391
- SY216221
- EN300-301386
- CS-0245211
- DTXSID60504892
-
- MDL: MFCD14638081
- Inchi: 1S/C5H10O2S/c1-5(2,8-3)4(6)7/h1-3H3,(H,6,7)
- InChI Key: CDFNSDKSYUXWQO-UHFFFAOYSA-N
- SMILES: S(C)C(C(=O)O)(C)C
Computed Properties
- Exact Mass: 134.0402
- Monoisotopic Mass: 134.04015073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 98.6
- 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
- XLogP3: 1.1
- Topological Polar Surface Area: 62.6?2
Experimental Properties
- PSA: 37.3
2-methyl-2-(methylsulfanyl)propanoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-301386-1g |
2-methyl-2-(methylsulfanyl)propanoic acid |
27868-56-0 | 94% | 1g |
$321.0 | 2023-09-06 | |
| Enamine | EN300-301386-5g |
2-methyl-2-(methylsulfanyl)propanoic acid |
27868-56-0 | 94% | 5g |
$929.0 | 2023-09-06 | |
| Enamine | EN300-301386-10g |
2-methyl-2-(methylsulfanyl)propanoic acid |
27868-56-0 | 94% | 10g |
$1380.0 | 2023-09-06 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1315881-50mg |
2-Methyl-2-(methylsulfanyl)propanoic acid |
27868-56-0 | 95% | 50mg |
¥1884 | 2023-04-14 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1315881-100mg |
2-Methyl-2-(methylsulfanyl)propanoic acid |
27868-56-0 | 95% | 100mg |
¥2991 | 2023-04-14 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1315881-250mg |
2-Methyl-2-(methylsulfanyl)propanoic acid |
27868-56-0 | 95% | 250mg |
¥4001 | 2023-04-14 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1315881-500mg |
2-Methyl-2-(methylsulfanyl)propanoic acid |
27868-56-0 | 95% | 500mg |
¥5868 | 2023-04-14 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1315881-1g |
2-Methyl-2-(methylsulfanyl)propanoic acid |
27868-56-0 | 95% | 1g |
¥6928 | 2023-04-14 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1315881-2.5g |
2-Methyl-2-(methylsulfanyl)propanoic acid |
27868-56-0 | 95% | 2.5g |
¥13581 | 2023-04-14 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1315881-5g |
2-Methyl-2-(methylsulfanyl)propanoic acid |
27868-56-0 | 95% | 5g |
¥25077 | 2023-04-14 |
2-methyl-2-(methylsulfanyl)propanoic acid Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
Additional information on 2-methyl-2-(methylsulfanyl)propanoic acid
Comprehensive Analysis of 2-Methyl-2-(Methylsulfanyl)Propanoic Acid (CAS No. 27868-56-0): Properties, Applications, and Industry Trends
2-Methyl-2-(methylsulfanyl)propanoic acid (CAS 27868-56-0) is a sulfur-containing organic compound with growing relevance in pharmaceutical intermediates and specialty chemical synthesis. Characterized by its carboxylic acid functional group and thioether moiety, this molecule exhibits unique reactivity patterns that make it valuable for constructing complex molecular architectures. Recent patent filings indicate increased interest in its derivatives for bioactive molecule development, particularly in agrochemical formulations and flavor/fragrance applications.
The compound's structural features – including the sterically hindered α-carbon and methylsulfanyl group – contribute to its stability under various reaction conditions. Analytical studies using NMR spectroscopy and mass spectrometry confirm its high purity (>98%) in commercial samples. Industry reports suggest growing demand for CAS 27868-56-0 in Asia-Pacific markets, driven by expanding pharmaceutical manufacturing capabilities in India and China.
Environmental considerations surrounding sulfur-containing compounds have prompted innovation in green synthesis methods for 2-methyl-2-(methylsulfanyl)propanoic acid. Recent publications highlight catalytic approaches using biodegradable reagents, addressing concerns about traditional sulfurylation methods. These advancements align with the chemical industry's focus on sustainable chemistry principles and atom economy optimization.
In material science applications, researchers are exploring the compound's potential as a ligand precursor for metal-organic frameworks (MOFs). Its ability to coordinate with transition metals while maintaining thermal stability makes it attractive for gas storage materials and heterogeneous catalysis systems. Computational chemistry studies predict favorable binding energies with palladium and copper centers.
The global market for specialty carboxylic acids like 27868-56-0 is projected to grow at 5.2% CAGR through 2028, according to industry analysts. This growth reflects broader trends in custom synthesis services and high-value intermediates production. Quality control standards have evolved, with leading suppliers now providing HPLC-certified batches and detailed spectroscopic characterization data sheets.
Emerging applications in electronic chemicals have been reported, where derivatives of 2-methyl-2-(methylsulfanyl)propanoic acid serve as additives in semiconductor processing fluids. The compound's thermal decomposition profile makes it suitable for controlled-release applications in specialty material formulations. These developments coincide with increased R&D investment in advanced materials sectors worldwide.
Safety assessments of CAS 27868-56-0 indicate favorable toxicological profiles compared to analogous sulfur compounds. Modern process chemistry approaches have reduced residual solvent levels below ICH Q3C guidelines, meeting stringent pharmaceutical grade requirements. These improvements support the compound's adoption in GMP manufacturing environments.
Recent breakthroughs in continuous flow chemistry have demonstrated efficient kilogram-scale production of 2-methyl-2-(methylsulfanyl)propanoic acid, addressing previous limitations in batch processing. These methods enhance reaction selectivity while reducing energy consumption – key factors for cost-effective scale-up in commercial production.
The compound's structure-activity relationships continue to be explored in medicinal chemistry research. Its metabolic stability and cell permeability characteristics make it a valuable scaffold for drug discovery programs targeting various therapeutic areas. Several published studies highlight its utility in constructing prodrug moieties and bioconjugates.
Analytical method development for 27868-56-0 has advanced significantly, with validated UPLC methods now available for impurity profiling. This progress supports quality assurance in regulatory submissions and facilitates compliance with evolving ICH guidelines for pharmaceutical intermediates.
Supply chain dynamics for 2-methyl-2-(methylsulfanyl)propanoic acid reflect broader shifts in fine chemicals distribution. Major producers have implemented dual sourcing strategies and inventory optimization systems to ensure reliable supply. These measures respond to growing customer expectations for just-in-time delivery of specialty chemicals.
Future research directions may explore the compound's potential in biocatalysis applications, leveraging its chiral center for asymmetric synthesis. Early-stage investigations suggest compatibility with certain enzyme systems, opening possibilities for biotechnological production routes that align with circular economy principles.
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