Cas no 405931-01-3 (4-chloro-6-(4-fluorobenzyl)pyrimidine)
4-chloro-6-(4-fluorobenzyl)pyrimidine Chemical and Physical Properties
Names and Identifiers
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- PYRIMIDINE, 4-CHLORO-6-[(4-FLUOROPHENYL)METHYL]-
- 4-chloro-6-(4-fluorobenzyl)pyrimidine
- 405931-01-3
- SCHEMBL5400082
- F1967-1285
- AKOS026713485
- 4-chloro-6-[(4-fluorophenyl)methyl]pyrimidine
- starbld0021682
- GQJKUSNDJLVEBS-UHFFFAOYSA-N
-
- Inchi: 1S/C11H8ClFN2/c12-11-6-10(14-7-15-11)5-8-1-3-9(13)4-2-8/h1-4,6-7H,5H2
- InChI Key: GQJKUSNDJLVEBS-UHFFFAOYSA-N
- SMILES: C1=NC(CC2=CC=C(F)C=C2)=CC(Cl)=N1
Computed Properties
- Exact Mass: 222.0360041Da
- Monoisotopic Mass: 222.0360041Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 195
- 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: 3.2
- Topological Polar Surface Area: 25.8?2
4-chloro-6-(4-fluorobenzyl)pyrimidine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | C252771-100mg |
4-chloro-6-(4-fluorobenzyl)pyrimidine |
405931-01-3 | 100mg |
$ 95.00 | 2022-04-01 | ||
| TRC | C252771-500mg |
4-chloro-6-(4-fluorobenzyl)pyrimidine |
405931-01-3 | 500mg |
$ 320.00 | 2022-04-01 | ||
| TRC | C252771-1g |
4-chloro-6-(4-fluorobenzyl)pyrimidine |
405931-01-3 | 1g |
$ 475.00 | 2022-04-01 | ||
| Life Chemicals | F1967-1285-0.25g |
4-chloro-6-(4-fluorobenzyl)pyrimidine |
405931-01-3 | 95%+ | 0.25g |
$302.0 | 2023-09-06 | |
| Life Chemicals | F1967-1285-0.5g |
4-chloro-6-(4-fluorobenzyl)pyrimidine |
405931-01-3 | 95%+ | 0.5g |
$318.0 | 2023-09-06 | |
| Life Chemicals | F1967-1285-1g |
4-chloro-6-(4-fluorobenzyl)pyrimidine |
405931-01-3 | 95%+ | 1g |
$335.0 | 2023-09-06 | |
| Life Chemicals | F1967-1285-2.5g |
4-chloro-6-(4-fluorobenzyl)pyrimidine |
405931-01-3 | 95%+ | 2.5g |
$670.0 | 2023-09-06 | |
| Life Chemicals | F1967-1285-5g |
4-chloro-6-(4-fluorobenzyl)pyrimidine |
405931-01-3 | 95%+ | 5g |
$1005.0 | 2023-09-06 | |
| Life Chemicals | F1967-1285-10g |
4-chloro-6-(4-fluorobenzyl)pyrimidine |
405931-01-3 | 95%+ | 10g |
$1407.0 | 2023-09-06 |
4-chloro-6-(4-fluorobenzyl)pyrimidine Related Literature
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
Additional information on 4-chloro-6-(4-fluorobenzyl)pyrimidine
Comprehensive Guide to 4-chloro-6-(4-fluorobenzyl)pyrimidine (CAS No. 405931-01-3): Properties, Applications, and Market Insights
4-chloro-6-(4-fluorobenzyl)pyrimidine (CAS No. 405931-01-3) is a specialized heterocyclic compound that has garnered significant attention in pharmaceutical and agrochemical research. This pyrimidine derivative features a unique molecular structure combining a chloro-substituted pyrimidine core with a 4-fluorobenzyl side chain, making it a valuable intermediate in organic synthesis. Researchers and industry professionals frequently search for "4-chloro-6-(4-fluorobenzyl)pyrimidine uses" and "CAS 405931-01-3 supplier," reflecting its growing importance in drug discovery pipelines.
The compound's molecular formula C11H8ClFN2 and molecular weight of 222.65 g/mol position it as a versatile building block for medicinal chemistry applications. Its crystalline solid form at room temperature and moderate solubility in organic solvents make it particularly suitable for cross-coupling reactions, a topic trending in recent synthetic chemistry literature. Current searches for "fluorobenzyl pyrimidine synthesis" and "chloropyrimidine applications 2024" indicate strong market interest in this chemical class.
In pharmaceutical applications, 4-chloro-6-(4-fluorobenzyl)pyrimidine serves as a key precursor for developing kinase inhibitors, with particular relevance to cancer research – one of the most searched health topics globally. The fluorine atom in its structure enhances bioavailability, a property highly valued in modern drug design paradigms. Recent publications have explored its potential in creating targeted therapies, aligning with the growing demand for personalized medicine solutions.
The agrochemical sector shows parallel interest, as evidenced by search queries like "pyrimidine-based pesticides" and "fluorinated agrochemicals." The compound's halogenated structure contributes to its stability and bioactivity, making it valuable for developing new-generation crop protection agents. This application gains additional relevance amid current discussions about sustainable agriculture and reduced environmental impact of farming inputs.
From a commercial perspective, CAS 405931-01-3 maintains steady demand across global markets. Procurement specialists often search for "4-chloro-6-(4-fluorobenzyl)pyrimidine price trends" and "high purity pyrimidine derivatives," reflecting its status as a premium fine chemical. The compound typically appears in research-grade (95-98% purity) and GMP-grade (>99%) variants, catering to different industry requirements.
Recent advancements in green chemistry have influenced synthesis protocols for 4-chloro-6-(4-fluorobenzyl)pyrimidine, with growing interest in catalytic methods and solvent-free reactions. These developments respond to the pharmaceutical industry's push toward sustainable manufacturing – a hot topic in 2024's chemical sector discussions. Researchers are particularly focused on optimizing the benzylation step to improve yield and reduce waste generation.
Analytical characterization of 405931-01-3 typically involves HPLC analysis, mass spectrometry, and NMR spectroscopy, techniques frequently searched by quality control professionals. The compound's melting point (reported between 98-102°C) and spectral properties serve as important quality indicators. These parameters are crucial for laboratories verifying material identity, especially when sourcing from different suppliers.
Storage and handling recommendations for 4-chloro-6-(4-fluorobenzyl)pyrimidine follow standard protocols for halogenated compounds. The material should be kept in airtight containers under ambient conditions, protected from moisture and direct sunlight. Such precautions maintain the compound's stability over extended periods, an important consideration for inventory management in research facilities.
The intellectual property landscape surrounding pyrimidine derivatives remains active, with patent searches for "fluorobenzyl pyrimidine patents" showing increased frequency. Several applications featuring CAS 405931-01-3 as an intermediate have emerged in recent years, particularly in oncological therapeutics and central nervous system drugs. This patent activity underscores the compound's continued relevance in innovative drug development.
Market analysts project steady growth for halogenated pyrimidines through 2025, driven by pharmaceutical R&D expansion. The 4-fluorobenzyl moiety's prevalence in FDA-approved drugs contributes to this positive outlook. Current sourcing strategies emphasize reliable supply chains and quality documentation, reflecting the compound's role in regulated applications.
In academic settings, 4-chloro-6-(4-fluorobenzyl)pyrimidine serves as an excellent case study for heterocyclic chemistry education. Its synthesis illustrates important concepts in electrophilic substitution and protective group chemistry, making it valuable for advanced organic chemistry courses. This educational dimension adds to the compound's multifaceted importance across the chemical sciences.
Looking forward, 405931-01-3 will likely maintain its position as a valuable chemical building block, with potential applications expanding into materials science and catalysis. The compound's versatility and the pharmaceutical industry's ongoing need for fluorinated scaffolds ensure its continued relevance in chemical research and development.
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