4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine - CAS 113583-35-0
Catalog: |
BB003201 |
Product Name: |
4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine |
CAS: |
113583-35-0 |
Synonyms: |
Pyrimidine, 4,6-dimethoxy-2-(methylsulfonyl)-; 2-(Methylsulfonyl)-4,6-dimethoxypyrimidine; 2-Methanesulfonyl-4,6-dimethoxypyrimidine |
IUPAC Name: | 4,6-dimethoxy-2-methylsulfonylpyrimidine |
Description: | 4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine was used to prepare nonpeptidic endothelin-A receptor antagonists. |
Molecular Weight: | 218.23 |
Molecular Formula: | C7H10N2O4S |
Canonical SMILES: | COC1=CC(=NC(=N1)S(=O)(=O)C)OC |
InChI: | InChI=1S/C7H10N2O4S/c1-12-5-4-6(13-2)9-7(8-5)14(3,10)11/h4H,1-3H3 |
InChI Key: | ITDVJJVNAASTRS-UHFFFAOYSA-N |
Boiling Point: | 412.6±48.0°C at 760 mmHg |
Melting Point: | 125-126°C |
Purity: | ≥95% |
Density: | 1.317±0.06 g/cm3 |
Solubility: | Soluble in DMSO (Slightly), Ethanol, Methanol (Slightly) |
Appearance: | White to off-white powder |
Storage: | Store at -20°C |
MDL: | MFCD00672151 |
LogP: | 0.97810 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112920126-A | Preparation method and preparation device of bispyribac-sodium intermediate 2-methylsulfonyl 4, 6-dimethoxypyrimidine | 20210113 |
CN-112552244-A | Production process of 4, 6-dimethoxy-2-methylsulfonyl pyrimidine | 20201222 |
CN-112390761-A | Synthetic method of paddy field herbicide pyriminobac-methyl | 20201116 |
CN-212981770-U | Blanking device | 20200723 |
CN-213194928-U | Methanol recovery tank for chemical industry | 20200723 |
PMID | Publication Date | Title | Journal |
21588245 | 20100703 | 4,6-Dimeth-oxy-2-(methyl-sulfon-yl)pyrimidine | Acta crystallographica. Section E, Structure reports online |
20104643 | 20100201 | A facile synthesis of 2-aryloxypyrimidine derivatives via a tandem reductive amination/intermolecular S(N)Ar sequence | Journal of Zhejiang University. Science. B |
18621525 | 20080801 | Synthesis and anti-inflammatory activity of 2-(2-aroylaroxy)-4,6-dimethoxy pyrimidines | Bioorganic & medicinal chemistry letters |
17618528 | 20071101 | A novel pyrimidine-based stable-isotope labeling reagent and its application to quantitative analysis using matrix-assisted laser desorption/ionization mass spectrometry | Journal of mass spectrometry : JMS |
16921560 | 20060101 | Gas-phase sulfonyl-sulfinate rearrangement of protonated 4,6-dimethoxy-2-(methylsulfonyl)pyrimidine | Rapid communications in mass spectrometry : RCM |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.03612798 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.03612798 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 86.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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