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2-Methylsulfonyl-4,6-dimethoxypyrimidine

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Name

2-Methylsulfonyl-4,6-dimethoxypyrimidine

EINECS 601-266-6
CAS No. 113583-35-0 Density 1.317 g/cm3
PSA 86.76000 LogP 0.97810
Solubility N/A Melting Point 129-133 °C(lit.)
Formula C7H10N2O4S Boiling Point 412.558 °C at 760 mmHg
Molecular Weight 218.233 Flash Point 203.308 °C
Transport Information N/A Appearance White to off-white powder
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 113583-35-0 (2-Methylsulfonyl-4,6-dimethoxypyrimidine) Hazard Symbols IrritantXi
Synonyms

2-(Methylsulfonyl)-4,6-dimethoxypyrimidine;4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine;

Article Data 14

2-Methylsulfonyl-4,6-dimethoxypyrimidine Synthetic route

90905-46-7

4,6-dimethoxy-2-(methylsulfanyl)pyrimidine

113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

Conditions
ConditionsYield
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%
20277-69-4

sodium methansulfinate

13223-25-1

2-chloro-4,6-dimethoxypyrimidine

113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 5h; Substitution;
6299-25-8

4,6-Dichloro-2-(methylthio)pyrimidine

113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

Conditions
ConditionsYield
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
1979-98-2

4,6-dihydroxy-2-methylmercaptopyrimidine

113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

Conditions
ConditionsYield
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

sodium; 4,6-dimethoxy-pyrimidine-2-thiolate

113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: H2O2 in situ
View Scheme
magnesium salt hexahydrate

magnesium salt hexahydrate

90905-46-7

4,6-dimethoxy-2-(methylsulfanyl)pyrimidine

113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

Conditions
ConditionsYield
With potassium carbonate; sodium sulfite In tetrahydrofuran; methanol; water; ethyl acetate

2-((1-methyl-1H-indol-3-yl)methyl)phenol

113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

C22H21N3O3

Conditions
ConditionsYield
With caesium carbonate In 1,4-dioxane at 110℃; for 0.5h;99%
1262391-77-4

1-(2-hydroxy-benzyl)-2-methylindoline

113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

C22H23N3O3

Conditions
ConditionsYield
In 1,4-dioxane at 110℃; for 0.5h;98%
1116-98-9

cyanoacetic acid tert-butyl ester

113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

1225226-84-5

tert-butyl 2-cyano-2-(4,6-dimethoxypyrimidin-2-yl)acetate

Conditions
ConditionsYield
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%
155012-55-8

methyl 2-ethoxy-5-hydroxy-2,3-dihydrobenzofuran-4-carboxylate

113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

155009-92-0

methyl 5-(4,6-dimethoxypyrimidin-2-yl)oxy-2-ethoxy-2,3-dihydrobenzofuran-4-carboxylate

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide95%

2-Methylsulfonyl-4,6-dimethoxypyrimidine Specification

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 

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