Cas no 59566-45-9 (2-pyrimidin-2-ylacetonitrile)
2-pyrimidin-2-ylacetonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-(Pyrimidin-2-yl)acetonitrile
- 2-(pyrimidin-2-yl)acetonitrile HCl
- 2-pyrimidin-2-ylacetonitrile
- 2-Pyrimidineacetonitrile
- 2-Pyrimidineacetonitrile (9CI)
- PYRIMIDIN-2-YLACETONITRILE
- 2-Pyrimidineacetonitrile(9ci)
- SCHEMBL78004
- AKOS009159170
- pyrimidin-2-yl-acetonitrile
- LNWCUVURNLRARG-UHFFFAOYSA-N
- MFCD09759105
- DA-04566
- SY097474
- PB12692
- 2-pyrimidinylacetonitrile
- (Pyrimidin-2-yl)acetonitrile
- 2-(2-pyrimidyl)acetonitrile
- 2-(2-pyrimidinyl)acetonitrile
- DTXSID20570679
- 59566-45-9
- CS-0052209
- pyrimidinyl acetonitrile
- J-000019
- AS-33436
-
- MDL: MFCD09759105
- Inchi: 1S/C6H5N3/c7-3-2-6-8-4-1-5-9-6/h1,4-5H,2H2
- InChI Key: LNWCUVURNLRARG-UHFFFAOYSA-N
- SMILES: N1C=CC=NC=1CC#N
Computed Properties
- Exact Mass: 119.04800
- Monoisotopic Mass: 119.048347172g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 118
- 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: -0.1
- Topological Polar Surface Area: 49.6?2
Experimental Properties
- PSA: 49.57000
- LogP: 0.54268
2-pyrimidin-2-ylacetonitrile Customs Data
- HS CODE:2933599090
- Customs Data:
China Customs Code:
2933599090Overview:
2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
2-pyrimidin-2-ylacetonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 036304-1g |
Pyrimidin-2-ylacetonitrile |
59566-45-9 | 95% | 1g |
£133.00 | 2022-03-01 | |
| Fluorochem | 036304-5g |
Pyrimidin-2-ylacetonitrile |
59566-45-9 | 95% | 5g |
£399.00 | 2022-03-01 | |
| Fluorochem | 036304-10g |
Pyrimidin-2-ylacetonitrile |
59566-45-9 | 95% | 10g |
£609.00 | 2022-03-01 | |
| Fluorochem | 036304-25g |
Pyrimidin-2-ylacetonitrile |
59566-45-9 | 95% | 25g |
£1219.00 | 2022-03-01 | |
| TRC | B526110-50mg |
2-(Pyrimidin-2-yl)acetonitrile |
59566-45-9 | 50mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B526110-100mg |
2-(Pyrimidin-2-yl)acetonitrile |
59566-45-9 | 100mg |
$ 87.00 | 2023-04-18 | ||
| TRC | B526110-500mg |
2-(Pyrimidin-2-yl)acetonitrile |
59566-45-9 | 500mg |
$ 224.00 | 2023-04-18 | ||
| Chemenu | CM108274-5g |
2-(pyrimidin-2-yl)acetonitrile |
59566-45-9 | 95% | 5g |
$396 | 2021-08-06 | |
| CHENG DOU FEI BO YI YAO Technology Co., Ltd. | FB07547-25g |
2-(pyrimidin-2-yl)acetonitrile |
59566-45-9 | 97% | 25g |
$1055 | 2023-09-07 | |
| Apollo Scientific | OR53117-1g |
(Pyrimidin-2-yl)acetonitrile |
59566-45-9 | 1g |
£195.00 | 2024-07-20 |
2-pyrimidin-2-ylacetonitrile Related Literature
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
Additional information on 2-pyrimidin-2-ylacetonitrile
Comprehensive Overview of 2-Pyrimidin-2-ylacetonitrile (CAS No. 59566-45-9): Properties, Applications, and Industry Insights
2-Pyrimidin-2-ylacetonitrile (CAS No. 59566-45-9) is a specialized organic compound widely recognized for its role as a versatile building block in pharmaceutical and agrochemical synthesis. This nitrile-functionalized pyrimidine derivative has garnered significant attention due to its unique molecular structure, which combines a pyrimidine ring with an acetonitrile moiety. The compound's chemical reactivity and structural adaptability make it invaluable for constructing complex heterocyclic systems, particularly in drug discovery and material science applications.
Recent trends in medicinal chemistry research highlight the growing demand for pyrimidine-based intermediates like 2-Pyrimidin-2-ylacetonitrile. Pharmaceutical developers frequently search for "pyrimidine nitrile derivatives" and "CAS 59566-45-9 applications" as they explore novel kinase inhibitors and antiviral agents. The compound's ability to serve as a precursor for biologically active molecules aligns with current industry priorities in targeted drug development and personalized medicine.
From a synthetic chemistry perspective, 2-Pyrimidin-2-ylacetonitrile exhibits remarkable nucleophilic reactivity at both the nitrile group and pyrimidine ring positions. This dual functionality enables diverse molecular transformations, including condensation reactions, cyclizations, and cross-coupling processes. Laboratory professionals often inquire about "59566-45-9 synthetic routes" and "pyrimidine-acetonitrile coupling methods," reflecting the compound's importance in methodology development.
The physicochemical properties of CAS 59566-45-9 contribute significantly to its utility. With a molecular weight of 119.12 g/mol and characteristic nitrile absorption bands in IR spectroscopy (2250 cm-1 region), the compound demonstrates excellent solubility in polar organic solvents while remaining stable under standard storage conditions. These attributes make it particularly suitable for high-throughput screening platforms and combinatorial chemistry approaches that dominate modern drug discovery workflows.
Emerging applications in material science have expanded the relevance of 2-Pyrimidin-2-ylacetonitrile beyond traditional pharmaceutical uses. Researchers investigating "organic electronic materials" and "pyrimidine-based polymers" have identified this compound as a potential precursor for conjugated systems with tunable optoelectronic properties. The π-deficient character of the pyrimidine ring, combined with the electron-withdrawing nitrile group, creates unique opportunities for designing charge-transport materials in organic semiconductors.
Quality control considerations for 59566-45-9 emphasize the importance of chromatographic purity and structural verification. Analytical techniques such as HPLC-MS and NMR spectroscopy are routinely employed to confirm identity and assess impurity profiles. Industry professionals frequently search for "2-Pyrimidin-2-ylacetonitrile specifications" and "CAS 59566-45-9 analytical methods," underscoring the need for reliable characterization data in research and production settings.
From a regulatory standpoint, 2-Pyrimidin-2-ylacetonitrile is not currently classified under restrictive chemical control lists in major markets. However, proper laboratory handling procedures should always be followed when working with nitrile-containing compounds. The scientific community's interest in "green chemistry alternatives" has prompted investigations into more sustainable synthetic approaches for this valuable intermediate.
The commercial availability of CAS 59566-45-9 through specialty chemical suppliers has facilitated its adoption across multiple research domains. Procurement specialists often search for "bulk 2-Pyrimidin-2-ylacetonitrile" and "custom synthesis 59566-45-9," reflecting varying scale requirements from milligram quantities for discovery research to kilogram amounts for process development. Current market trends indicate steady demand growth aligned with expanding heterocyclic chemistry applications.
In conclusion, 2-Pyrimidin-2-ylacetonitrile (CAS No. 59566-45-9) represents a strategically important compound at the intersection of pharmaceutical innovation and advanced material development. Its structural features and chemical versatility continue to inspire novel applications across scientific disciplines, while evolving synthetic methodologies promise to enhance its accessibility for research and industrial applications alike.
59566-45-9 (2-pyrimidin-2-ylacetonitrile) Related Products
- 1408196-51-9(2-(5-Methylpyrimidin-2-yl)acetonitrile)
- 60544-11-8(2-Ethylpyrimidine)
- 61349-72-2(Pyrimidine, 2-(1-methylethyl)-)
- 1849313-91-2(2-Methyl-2-(pyrimidin-2-yl)propanenitrile)
- 831203-15-7(2-(5-bromopyrimidin-2-yl)acetonitrile)
- 1227581-41-0(2-(5-Chloropyrimidin-2-yl)acetonitrile)
- 1227599-49-6(2-(5-Fluoropyrimidin-2-yl)acetonitrile)
- 1099471-49-4(2-(pyrimidin-2-yl)propanedinitrile)
- 1597285-30-7(2-(5-Iodopyrimidin-2-yl)acetonitrile)
- 61349-71-1(Pyrimidine, 2-propyl-)