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CAS No.: | 113583-35-0 |
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Name: | 2-Methylsulfonyl-4,6-dimethoxypyrimidine |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C7H10N2O4S |
Molecular Weight: | 218.233 |
Synonyms: | 2-(Methylsulfonyl)-4,6-dimethoxypyrimidine;4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine; |
EINECS: | 601-266-6 |
Density: | 1.317 g/cm3 |
Melting Point: | 129-133 °C(lit.) |
Boiling Point: | 412.558 °C at 760 mmHg |
Flash Point: | 203.308 °C |
Appearance: | White to off-white powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 86.76000 |
LogP: | 0.97810 |
4,6-dimethoxy-2-(methylsulfanyl)pyrimidine
4,6-dimethoxypyrimidin-2-yl methyl sulfone
Conditions | Yield |
---|---|
With sodium tungstate (VI) dihydrate; tetrabutylammomium bromide; dihydrogen peroxide; acetic acid In water at 45 - 55℃; | 99% |
With sodium tungstate (VI) dihydrate; dihydrogen peroxide; acetic acid In water for 5h; | 89% |
With sodium tungstate; dihydrogen peroxide In acetic acid at 50℃; for 3h; Oxidation; | 88.6% |
sodium methansulfinate
2-chloro-4,6-dimethoxypyrimidine
4,6-dimethoxypyrimidin-2-yl methyl sulfone
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 5h; Substitution; |
4,6-Dichloro-2-(methylthio)pyrimidine
4,6-dimethoxypyrimidin-2-yl methyl sulfone
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: methanol / 25 °C 2: 3-chloroperoxybenzoic acid / CH2Cl2 / 5 h / 30 °C View Scheme | |
Multi-step reaction with 2 steps 1: methanol 2: 46.5 g / peracetic acid / CH2Cl2 View Scheme | |
Multi-step reaction with 2 steps 1: methanol 2: H2O2 in situ View Scheme | |
Multi-step reaction with 2 steps 1: copper(l) chloride; sodium iodide / methanol / 20 - 40 °C 2: sodium tungstate; acetic acid; dihydrogen peroxide / water / 40 °C View Scheme |
4,6-dihydroxy-2-methylmercaptopyrimidine
4,6-dimethoxypyrimidin-2-yl methyl sulfone
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: POCl3 2: methanol 3: H2O2 in situ View Scheme | |
Multi-step reaction with 3 steps 1: trichlorophosphate; triethylamine / chlorobenzene / 40 - 80 °C 2: copper(l) chloride; sodium iodide / methanol / 20 - 40 °C 3: sodium tungstate; acetic acid; dihydrogen peroxide / water / 40 °C View Scheme | |
Multi-step reaction with 3 steps 1: trichlorophosphate / 4 h / 90 °C 2: sodium methylate / 75 °C 3: dihydrogen peroxide; sodium tungstate; acetic acid; sodium 4-dodecylbenzenesulfonate / toluene / 2 h / 50 °C View Scheme |
4,6-dimethoxypyrimidin-2-yl methyl sulfone
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: H2O2 in situ View Scheme |
4,6-dimethoxy-2-(methylsulfanyl)pyrimidine
4,6-dimethoxypyrimidin-2-yl methyl sulfone
Conditions | Yield |
---|---|
With potassium carbonate; sodium sulfite In tetrahydrofuran; methanol; water; ethyl acetate |
4,6-dimethoxypyrimidin-2-yl methyl sulfone
Conditions | Yield |
---|---|
With caesium carbonate In 1,4-dioxane at 110℃; for 0.5h; | 99% |
1-(2-hydroxy-benzyl)-2-methylindoline
4,6-dimethoxypyrimidin-2-yl methyl sulfone
Conditions | Yield |
---|---|
In 1,4-dioxane at 110℃; for 0.5h; | 98% |
cyanoacetic acid tert-butyl ester
4,6-dimethoxypyrimidin-2-yl methyl sulfone
tert-butyl 2-cyano-2-(4,6-dimethoxypyrimidin-2-yl)acetate
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 60 - 70℃; for 6h; Inert atmosphere; | 97% |
With potassium carbonate In acetonitrile for 24h; Reflux; | 87.3% |
methyl 2-ethoxy-5-hydroxy-2,3-dihydrobenzofuran-4-carboxylate
4,6-dimethoxypyrimidin-2-yl methyl sulfone
methyl 5-(4,6-dimethoxypyrimidin-2-yl)oxy-2-ethoxy-2,3-dihydrobenzofuran-4-carboxylate
Conditions | Yield |
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With potassium carbonate In N,N-dimethyl-formamide | 95% |
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The 2-Methylsulfonyl-4,6-dimethoxypyrimidine, with the CAS registry number 113583-35-0, is also known as Pyrimidine, 4,6-dimethoxy-2-(methylsulfonyl)-. It belongs to the product categories of Pyrimidines; Pyrimidine; Building Blocks; Heterocyclic Building Blocks. This chemical's molecular formula is C7H10N2O4S and molecular weight is 218.23. What's more, its systematic name is 4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides. It is used as pesticide Intermediates.
Physical properties of 2-Methylsulfonyl-4,6-dimethoxypyrimidine are: (1)ACD/LogP: 1.022; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): 1.02; (5)ACD/BCF (pH 5.5): 3.52; (6)ACD/BCF (pH 7.4): 3.52; (7)ACD/KOC (pH 5.5): 85.65; (8)ACD/KOC (pH 7.4): 85.65; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 86.76 Å2; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 48.524 cm3; (15)Molar Volume: 165.663 cm3; (16)Polarizability: 19.236×10-24cm3; (17)Surface Tension: 46.1 dyne/cm; (18)Density: 1.317 g/cm3; (19)Flash Point: 203.308 °C; (20)Enthalpy of Vaporization: 63.937 kJ/mol; (21)Boiling Point: 412.558 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1nc(OC)cc(OC)n1)C
(2)Std. InChI: InChI=1S/C7H10N2O4S/c1-12-5-4-6(13-2)9-7(8-5)14(3,10)11/h4H,1-3H3
(3)Std. InChIKey: ITDVJJVNAASTRS-UHFFFAOYSA-N