Cas no 1204298-76-9 (6-(difluoromethyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one)
6-(difluoromethyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one Chemical and Physical Properties
Names and Identifiers
-
- 6-(difluoromethyl)-2-mercaptopyrimidin-4-ol
- 4-Hydroxy-2-thio-6-(difluoroMethyl)pyriMidine
- 6-(difluoromethyl)-2-sulfanylidene-1H-pyrimidin-4-one
- 6-(difluoromethyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one
- AKOS032464727
- 6-(difluoromethyl)-2-sulfanylpyrimidin-4-ol
- F1967-9098
- RPFVUMOHGFOCGJ-UHFFFAOYSA-N
- Z1255436162
- 6-(Difluoromethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
- 6-(Difluoromethyl)-4-hydroxypyrimidine-2(1H)-thione
- DTXSID00622342
- CCG-358141
- SCHEMBL22179680
- AKOS027430949
- EN300-215531
- 6-(difluoromethyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
- 1204298-76-9
-
- MDL: MFCD12827718
- Inchi: 1S/C5H4F2N2OS/c6-4(7)2-1-3(10)9-5(11)8-2/h1,4H,(H2,8,9,10,11)
- InChI Key: RPFVUMOHGFOCGJ-UHFFFAOYSA-N
- SMILES: S=C1NC(C=C(C(F)F)N1)=O
Computed Properties
- Exact Mass: 178.00132
- Monoisotopic Mass: 178.00124025g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 239
- 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: 0.3
- Topological Polar Surface Area: 73.2?2
Experimental Properties
- PSA: 46.01
6-(difluoromethyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | H11425-1g |
4-Hydroxy-2-thio-6-(difluoromethyl)pyrimidine |
1204298-76-9 | 98% | 1g |
1038CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | H11425-5g |
4-Hydroxy-2-thio-6-(difluoromethyl)pyrimidine |
1204298-76-9 | 98% | 5g |
4158CNY | 2021-05-08 | |
| TRC | H563470-50mg |
4-Hydroxy-2-thio-6-(difluoromethyl)pyrimidine |
1204298-76-9 | 50mg |
$ 50.00 | 2022-06-04 | ||
| TRC | H563470-100mg |
4-Hydroxy-2-thio-6-(difluoromethyl)pyrimidine |
1204298-76-9 | 100mg |
$ 65.00 | 2022-06-04 | ||
| TRC | H563470-500mg |
4-Hydroxy-2-thio-6-(difluoromethyl)pyrimidine |
1204298-76-9 | 500mg |
$ 135.00 | 2022-06-04 | ||
| Chemenu | CM166390-100mg |
6-(difluoromethyl)-4-hydroxypyrimidine-2(1H)-thione |
1204298-76-9 | 97% | 100mg |
$143 | 2023-02-18 | |
| Chemenu | CM166390-250mg |
6-(difluoromethyl)-4-hydroxypyrimidine-2(1H)-thione |
1204298-76-9 | 97% | 250mg |
$188 | 2023-02-18 | |
| Chemenu | CM166390-1g |
6-(difluoromethyl)-4-hydroxypyrimidine-2(1H)-thione |
1204298-76-9 | 97% | 1g |
$350 | 2023-02-18 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | H11425-1g |
4-Hydroxy-2-thio-6-(difluoromethyl)pyrimidine |
1204298-76-9 | 98% | 1g |
1038.0CNY | 2021-07-13 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | H11425-5g |
4-Hydroxy-2-thio-6-(difluoromethyl)pyrimidine |
1204298-76-9 | 98% | 5g |
4158.0CNY | 2021-07-13 |
6-(difluoromethyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
Additional information on 6-(difluoromethyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one
6-(Difluoromethyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one: A Comprehensive Overview
CAS No 1204298-76-9 corresponds to the compound known as 6-(difluoromethyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one, a highly specialized organic compound with significant potential in various fields of chemistry and materials science. This compound has garnered attention due to its unique structural properties and functional groups, which make it a promising candidate for advanced chemical applications.
The molecular structure of 6-(difluoromethyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one is characterized by a tetrahydropyrimidine ring system with a sulfanylidene group at position 2 and a difluoromethyl substituent at position 6. This combination of functional groups imparts the compound with distinct electronic and steric properties, rendering it suitable for a wide range of chemical reactions and applications.
Recent studies have highlighted the potential of this compound in the field of organocatalysis, where its ability to act as a Lewis acid has been exploited for catalyzing various organic transformations. Researchers have demonstrated that the sulfanylidene group can effectively coordinate with nucleophiles, facilitating efficient catalytic cycles in processes such as aldol reactions and Michael additions.
In addition to its catalytic applications, 6-(difluoromethyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one has shown promise in the synthesis of bioactive molecules. Its unique structure allows for the creation of complex molecular architectures through strategic use of its functional groups. For instance, the difluoromethyl group can serve as an electrophilic site in nucleophilic substitution reactions, enabling the construction of diverse chemical frameworks.
The synthesis of this compound involves a multi-step process that typically begins with the preparation of the tetrahydropyrimidine ring system. Recent advancements in synthetic methodology have focused on optimizing reaction conditions to enhance yield and purity. Techniques such as microwave-assisted synthesis and continuous flow chemistry have been employed to streamline the production process.
The application of CAS No 1204298-76-9 extends beyond traditional chemical synthesis into areas such as material science and nanotechnology. Its ability to form stable coordination complexes has led to its exploration as a potential building block for constructing metal-organic frameworks (MOFs) and other porous materials.
In conclusion, 6-(difluoromethyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one, with its unique structural features and versatile functional groups, represents a valuable asset in contemporary chemical research. Its role in organocatalysis, bioactive molecule synthesis, and materials science underscores its significance as a key compound in advancing modern chemistry.
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