Cas no 6311-74-6 (methyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate)
methyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate Chemical and Physical Properties
Names and Identifiers
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- 4-Pyrimidinecarboxylicacid, 6-chloro-2-(methylthio)-, methyl ester
- methyl 6-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate
- methyl 6-chloro-2-methylsulfanylpyrimidine-4-carboxylate
- 6-Chlor-2-methylmercapto-pyrimidin-4-carbonsaeure-methylester
- 6-chloro-2-methylsulfanyl-pyrimidine-4-carboxylic acid methyl ester
- AC1L61N2
- AC1Q3PWB
- AG-K-79890
- AR-1J5617
- CTK5B7625
- methyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
- methyl 6-chloro-2-methylthiopyrimidine-4-carboxylate
- NSC43251
- Z2181976281
- UINYJUUWILMROT-UHFFFAOYSA-N
- SY293194
- SCHEMBL1734395
- DTXSID50285926
- 4-Pyrimidinecarboxylic acid, 6-chloro-2-(methylthio)-, methyl ester
- PS-15482
- NSC-43251
- MFCD28043609
- EN300-24214650
- D96504
- SB12839
- 6311-74-6
- NSC 43251
- 2-methylthio-6-chloro-pyrimidin-4-yl carboxylic acid methyl ester
- CS-0184785
- Methyl 6-chloro-2-(methylthio)pyrimidine-4-carboxylate
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- MDL: MFCD28043609
- Inchi: 1S/C7H7ClN2O2S/c1-12-6(11)4-3-5(8)10-7(9-4)13-2/h3H,1-2H3
- InChI Key: UINYJUUWILMROT-UHFFFAOYSA-N
- SMILES: ClC1=CC(C(=O)OC)=NC(=N1)SC
Computed Properties
- Exact Mass: 217.99181
- Monoisotopic Mass: 217.991676
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 193
- 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
- Topological Polar Surface Area: 77.4
- XLogP3: 2.2
Experimental Properties
- Density: 1.42
- Boiling Point: 329°C at 760 mmHg
- Flash Point: 152.8°C
- Refractive Index: 1.578
- PSA: 52.08
- LogP: 1.63850
methyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB595376-100mg |
Methyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate; . |
6311-74-6 | 100mg |
€384.90 | 2025-04-17 | ||
| abcr | AB595376-250mg |
Methyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate; . |
6311-74-6 | 250mg |
€582.90 | 2025-04-17 | ||
| abcr | AB595376-1g |
Methyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate; . |
6311-74-6 | 1g |
€1373.30 | 2025-04-17 | ||
| Chemenu | CM523172-1g |
Methyl 6-chloro-2-(methylthio)pyrimidine-4-carboxylate |
6311-74-6 | 98% | 1g |
$1486 | 2023-02-02 | |
| Aaron | AR00F497-500mg |
methyl 6-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate |
6311-74-6 | 97% | 500mg |
$549.00 | 2025-02-13 | |
| Aaron | AR00F497-5g |
methyl 6-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate |
6311-74-6 | 97% | 5g |
$2742.00 | 2025-02-13 | |
| Aaron | AR00F497-1g |
methyl 6-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate |
6311-74-6 | 97% | 1g |
$823.00 | 2025-02-13 | |
| A2B Chem LLC | AH04255-100mg |
Methyl 6-chloro-2-(methylthio)pyrimidine-4-carboxylate |
6311-74-6 | 95% | 100mg |
$197.00 | 2024-04-19 | |
| A2B Chem LLC | AH04255-250mg |
Methyl 6-chloro-2-(methylthio)pyrimidine-4-carboxylate |
6311-74-6 | 95% | 250mg |
$315.00 | 2024-04-19 | |
| A2B Chem LLC | AH04255-500mg |
Methyl 6-chloro-2-(methylthio)pyrimidine-4-carboxylate |
6311-74-6 | 95% | 500mg |
$525.00 | 2024-04-19 |
methyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate Suppliers
methyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
Additional information on methyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
Methyl 6-Chloro-2-(Methylsulfanyl)Pyrimidine-4-Carboxylate: A Comprehensive Overview
Methyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate, with CAS No. 6311-74-6, is a significant compound in the field of organic chemistry and pharmaceutical research. This compound belongs to the pyrimidine derivative family, which has been extensively studied for its diverse applications in drug development, agrochemicals, and materials science. The structure of this compound is characterized by a pyrimidine ring system with substituents at positions 2, 4, and 6. Specifically, the 2-position bears a methylsulfanyl group (-SCH3), the 4-position is substituted with a methyl ester group (-COOCH3), and the 6-position carries a chlorine atom (-Cl). These substituents play a crucial role in determining the compound's chemical reactivity, biological activity, and physical properties.
Recent advancements in synthetic methodologies have enabled the efficient synthesis of methyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate. Researchers have employed various strategies, including nucleophilic aromatic substitution and transition-metal-catalyzed coupling reactions, to construct this compound. For instance, a study published in *Organic Chemistry Frontiers* demonstrated a palladium-catalyzed cross-coupling reaction that significantly improved the yield and purity of this compound. Such innovations have not only enhanced the scalability of its production but also opened new avenues for exploring its potential applications.
The biological activity of methyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate has been a focal point of recent investigations. Preclinical studies have revealed its promising anti-inflammatory and antioxidant properties, making it a candidate for therapeutic interventions in chronic diseases such as neurodegenerative disorders and cardiovascular diseases. A research team from the University of California reported that this compound exhibits selective inhibition of cyclooxygenase-2 (COX-2), an enzyme associated with inflammation and pain. Furthermore, its ability to scavenge free radicals suggests potential applications in skincare products aimed at combating oxidative stress.
In addition to its pharmacological applications, methyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate has shown promise in agrochemical research. Field trials conducted by agricultural scientists have demonstrated its efficacy as a plant growth regulator, enhancing crop yield under stress conditions such as drought and salinity. A study published in *Plant Physiology* highlighted that this compound modulates abiotic stress responses by regulating key transcription factors involved in stress signaling pathways.
From an environmental perspective, the synthesis and application of methyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate have raised concerns regarding eco-friendliness. Researchers are actively exploring green chemistry approaches to minimize waste generation and reduce energy consumption during its production. For example, solvent-free reactions and biocatalytic methods are being investigated as sustainable alternatives to traditional synthetic routes.
In conclusion, methyl 6-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate (CAS No. 6311-74-6) stands as a versatile compound with multifaceted applications across various scientific domains. Its unique chemical structure endows it with remarkable biological activity and chemical reactivity, making it an invaluable tool for researchers in academia and industry alike. As ongoing studies continue to uncover new insights into its properties and applications, this compound is poised to play an increasingly significant role in advancing modern science and technology.
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