Cas no 1269119-14-3 (4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonyl Chloride)
4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonyl Chloride Chemical and Physical Properties
Names and Identifiers
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- 4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonyl Chloride
- 4,6-dichloro-2-methylsulfanylpyrimidine-5-carbonyl chloride
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- MDL： MFCD22200536
- Inchi： 1S/C6H3Cl3N2OS/c1-13-6-10-3(7)2(5(9)12)4(8)11-6/h1H3
- InChI Key： MHZGWIOWCZZQNF-UHFFFAOYSA-N
- SMILES： ClC1C(C(=O)Cl)=C(N=C(N=1)SC)Cl
Computed Properties
- Exact Mass: 255.90300
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
Experimental Properties
- Melting Point: 72-77?°C
- PSA: 68.15000
- LogP: 2.88430
4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonyl Chloride Security Information
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Symbol:
- Signal Word：Danger
- Hazard Statement： H314
- Warning Statement： P280-P305+P351+P338-P310
- Hazardous Material transportation number：UN 3261 8 / PGII
- WGK Germany：3
- Hazard Category Code： 34
- Safety Instruction： 26-36/37/39-45
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Hazardous Material Identification：
4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonyl Chloride Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D475655-10mg |
4,6-dichloro-2-(methylthio)pyrimidine-5-carbonyl chloride |
1269119-14-3 | 10mg |
$ 50.00 | 2022-06-05 | ||
| TRC | D475655-50mg |
4,6-dichloro-2-(methylthio)pyrimidine-5-carbonyl chloride |
1269119-14-3 | 50mg |
$ 95.00 | 2022-06-05 | ||
| TRC | D475655-100mg |
4,6-dichloro-2-(methylthio)pyrimidine-5-carbonyl chloride |
1269119-14-3 | 100mg |
$ 160.00 | 2022-06-05 | ||
| Chemenu | CM320490-5g |
4,6-dichloro-2-(methylthio)pyrimidine-5-carbonyl chloride |
1269119-14-3 | 95% | 5g |
$311 | 2021-08-18 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | Y02295-1g |
4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBONYL CHLORIDE |
1269119-14-3 | 95% | 1g |
￥1259.0 | 2023-09-05 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | Y02295-5g |
4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBONYL CHLORIDE |
1269119-14-3 | 95% | 5g |
￥4459.0 | 2023-09-05 | |
| abcr | AB451817-250 mg |
4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonyl chloride |
1269119-14-3 | 250mg |
€109.20 | 2023-04-22 | ||
| abcr | AB451817-1 g |
4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonyl chloride |
1269119-14-3 | 1g |
€238.20 | 2023-04-22 | ||
| Chemenu | CM320490-1g |
4,6-dichloro-2-(methylthio)pyrimidine-5-carbonyl chloride |
1269119-14-3 | 95% | 1g |
$125 | 2024-08-02 | |
| Chemenu | CM320490-5g |
4,6-dichloro-2-(methylthio)pyrimidine-5-carbonyl chloride |
1269119-14-3 | 95% | 5g |
$441 | 2024-08-02 |
4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonyl Chloride Suppliers
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4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonyl Chloride Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
Additional information on 4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonyl Chloride
Comprehensive Overview of 4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonyl Chloride (CAS No. 1269119-14-3)
4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonyl Chloride (CAS No. 1269119-14-3) is a highly specialized chemical compound widely utilized in pharmaceutical and agrochemical research. Its unique molecular structure, featuring a pyrimidine core with chloro and methylthio functional groups, makes it a versatile intermediate for synthesizing active ingredients. Researchers and manufacturers value this compound for its reactivity, particularly in cross-coupling reactions and nucleophilic substitutions, which are critical for developing novel therapeutics and crop protection agents.
The growing demand for pyrimidine derivatives in drug discovery has placed 4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonyl Chloride at the forefront of modern organic chemistry. Its applications span from kinase inhibitors to herbicide formulations, aligning with trends in precision medicine and sustainable agriculture. Recent studies highlight its role in optimizing bioavailability and target selectivity, addressing key challenges in small-molecule drug development.
From an industrial perspective, the compound’s stability under controlled conditions and compatibility with continuous flow chemistry systems have attracted attention. These properties resonate with the pharmaceutical industry’s shift toward green chemistry and process intensification. Analytical techniques like HPLC and NMR spectroscopy confirm its high purity (>98%), meeting stringent regulatory standards for GMP-compliant synthesis.
Environmental and safety considerations are paramount when handling 4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonyl Chloride. While not classified as hazardous under standard protocols, proper personal protective equipment (PPE) and ventilation controls are recommended during laboratory use. Its low persistence in aquatic environments, as evidenced by OECD 301 biodegradation studies, supports its adoption in eco-conscious manufacturing workflows.
Market analysts project increased demand for this compound, driven by expanding generic drug portfolios and agrochemical innovation. Patent landscapes reveal its incorporation in next-generation fungicides and anticancer agents, reflecting its cross-industry relevance. Storage recommendations include anhydrous conditions at 2-8°C to preserve its carbonyl chloride functionality—a critical factor for end-user applications.
For researchers exploring structure-activity relationships (SAR), this compound serves as a strategic building block. Its electrophilic reactivity at the 5-position enables diverse derivatization pathways, while the methylthio group offers opportunities for oxidative transformations. These features answer frequent search queries about modifying pyrimidine scaffolds for enhanced biological activity.
Emerging applications in material science, particularly for organic electronic materials, further broaden its utility. The compound’s conjugated π-system and halogen substituents make it a candidate for developing molecular semiconductors—an area gaining traction in renewable energy research. This multidisciplinary potential positions CAS No. 1269119-14-3 as a compound of significant scientific and commercial interest.
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