Product Name

  • Name

    2-Methylsulfonyl-4,6-dimethoxypyrimidine

  • EINECS 601-266-6
  • CAS No. 113583-35-0
  • Article Data14
  • CAS DataBase
  • Density 1.317 g/cm3
  • Solubility
  • 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
  • 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;
  • PSA 86.76000
  • LogP 0.97810

Synthetic route

4,6-dimethoxy-2-(methylsulfanyl)pyrimidine
90905-46-7

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

4,6-dimethoxypyrimidin-2-yl methyl sulfone
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%
sodium methansulfinate
20277-69-4

sodium methansulfinate

2-chloro-4,6-dimethoxypyrimidine
13223-25-1

2-chloro-4,6-dimethoxypyrimidine

4,6-dimethoxypyrimidin-2-yl methyl sulfone
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;
4,6-Dichloro-2-(methylthio)pyrimidine
6299-25-8

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

4,6-dimethoxypyrimidin-2-yl methyl sulfone
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
4,6-dihydroxy-2-methylmercaptopyrimidine
1979-98-2

4,6-dihydroxy-2-methylmercaptopyrimidine

4,6-dimethoxypyrimidin-2-yl methyl sulfone
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

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

4,6-dimethoxypyrimidin-2-yl methyl sulfone
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

4,6-dimethoxy-2-(methylsulfanyl)pyrimidine
90905-46-7

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

4,6-dimethoxypyrimidin-2-yl methyl sulfone
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

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

4,6-dimethoxypyrimidin-2-yl methyl sulfone
113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

C22H21N3O3

C22H21N3O3

Conditions
ConditionsYield
With caesium carbonate In 1,4-dioxane at 110℃; for 0.5h;99%
1-(2-hydroxy-benzyl)-2-methylindoline
1262391-77-4

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

4,6-dimethoxypyrimidin-2-yl methyl sulfone
113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

C22H23N3O3

C22H23N3O3

Conditions
ConditionsYield
In 1,4-dioxane at 110℃; for 0.5h;98%
cyanoacetic acid tert-butyl ester
1116-98-9

cyanoacetic acid tert-butyl ester

4,6-dimethoxypyrimidin-2-yl methyl sulfone
113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

tert-butyl 2-cyano-2-(4,6-dimethoxypyrimidin-2-yl)acetate
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%
methyl 2-ethoxy-5-hydroxy-2,3-dihydrobenzofuran-4-carboxylate
155012-55-8

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

4,6-dimethoxypyrimidin-2-yl methyl sulfone
113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

methyl 5-(4,6-dimethoxypyrimidin-2-yl)oxy-2-ethoxy-2,3-dihydrobenzofuran-4-carboxylate
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%
4-HYDROXYPIPERIDINE
5382-16-1

4-HYDROXYPIPERIDINE

4,6-dimethoxypyrimidin-2-yl methyl sulfone
113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-ol

1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-ol

Conditions
ConditionsYield
With triethylamine In ethanol for 8h; Reflux;95%
salicylaldehyde
90-02-8

salicylaldehyde

4,6-dimethoxypyrimidin-2-yl methyl sulfone
113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

2-(4,6-dimethoxy-pyrimidin-2-yl-oxy)benzaldehyde
110284-76-9

2-(4,6-dimethoxy-pyrimidin-2-yl-oxy)benzaldehyde

Conditions
ConditionsYield
With potassium carbonate In tetrahydrofuran for 8h; Reflux;94%
With potassium carbonate94%
With potassium carbonate In acetonitrile
With potassium carbonate In tetrahydrofuran
With potassium carbonate In N,N-dimethyl-formamide at 60℃;
4,6-dimethoxypyrimidin-2-yl methyl sulfone
113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

2-hydroxy-6-(1-methoxyimino-ethyl)-benzoic acid methyl ester
136192-81-9

2-hydroxy-6-(1-methoxyimino-ethyl)-benzoic acid methyl ester

pyriminobac-methyl

pyriminobac-methyl

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 110℃; for 3h; Temperature;94%
(+/-)-methyl (2-hydroxy-3,3-dimethyl)butyrate
121129-31-5

(+/-)-methyl (2-hydroxy-3,3-dimethyl)butyrate

4,6-dimethoxypyrimidin-2-yl methyl sulfone
113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

methyl 2-(4,6-dimethoxypyrimidin-2-yloxy)-3,3-dimethylbutanoate

methyl 2-(4,6-dimethoxypyrimidin-2-yloxy)-3,3-dimethylbutanoate

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 3h; Substitution;93.8%
potassium carbonate In water; ethyl acetate; N,N-dimethyl-formamide
1-(2-hydroxy-benzyl)-indoline
948713-76-6

1-(2-hydroxy-benzyl)-indoline

4,6-dimethoxypyrimidin-2-yl methyl sulfone
113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

C21H21N3O3

C21H21N3O3

Conditions
ConditionsYield
In 1,4-dioxane at 110℃; for 0.5h;93%
4,6-dimethoxypyrimidin-2-yl methyl sulfone
113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

7-mercapto-3-methyl-3H-isobenzofuran-1-one
135217-37-7

7-mercapto-3-methyl-3H-isobenzofuran-1-one

7-[(4,6-dimethoxy-pyrimidin-2-yl)thio]-3-methyl-phthalide
135186-78-6

7-[(4,6-dimethoxy-pyrimidin-2-yl)thio]-3-methyl-phthalide

Conditions
ConditionsYield
With triphenylphosphine; sodium hydroxide In water; isopropyl alcohol at 75℃; for 3h; Inert atmosphere;92%
With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 2.5h;90.4%
2-hydroxy-3,3-dimethylbutyronitrile
33350-17-3

2-hydroxy-3,3-dimethylbutyronitrile

4,6-dimethoxypyrimidin-2-yl methyl sulfone
113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

2-(4,6-dimethoxypyrimidin-2-yl)-oxy-3,3-dimethylbutyronitrile

2-(4,6-dimethoxypyrimidin-2-yl)-oxy-3,3-dimethylbutyronitrile

Conditions
ConditionsYield
With acetic acid In N-methyl-acetamide; water92%
methyl 2,6-dihydroxybenzoate
2150-45-0

methyl 2,6-dihydroxybenzoate

4,6-dimethoxypyrimidin-2-yl methyl sulfone
113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

methyl 2-[(4,6-dimethoxypyrimidin-2-yl)methyl]-6-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate

methyl 2-[(4,6-dimethoxypyrimidin-2-yl)methyl]-6-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate

Conditions
ConditionsYield
With potassium carbonate In acetone for 2.5h; Reflux;91.5%
C17H17NO

C17H17NO

4,6-dimethoxypyrimidin-2-yl methyl sulfone
113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

C23H23N3O3

C23H23N3O3

Conditions
ConditionsYield
With caesium carbonate In 1,4-dioxane at 110℃; for 0.5h;91%
piperazine
110-85-0

piperazine

4,6-dimethoxypyrimidin-2-yl methyl sulfone
113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

1-(4,6-dimethoxy-2-pyrimidinyl)-piperazine
106615-46-7

1-(4,6-dimethoxy-2-pyrimidinyl)-piperazine

Conditions
ConditionsYield
With potassium carbonate In water at 55 - 60℃;90%
In ethanol 1.) ice bath, 2.) room temperature;48.6%
4,6-dimethoxypyrimidin-2-yl methyl sulfone
113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

5-hydroxy-2,2-dimethyl-4H-benzo[d][1,3]dioxin-4-one
154714-19-9

5-hydroxy-2,2-dimethyl-4H-benzo[d][1,3]dioxin-4-one

5-(4,6-dimethoxypyrimidin-2-yl)oxy-2,2-dimethyl-4-oxo-benzo-1,3-dioxin
197718-32-4

5-(4,6-dimethoxypyrimidin-2-yl)oxy-2,2-dimethyl-4-oxo-benzo-1,3-dioxin

Conditions
ConditionsYield
Stage #1: 5-hydroxy-2,2-dimethyl-4H-benzo[d][1,3]dioxin-4-one With potassium carbonate In N,N-dimethyl-formamide at 25℃; for 1h;
Stage #2: 4,6-dimethoxypyrimidin-2-yl methyl sulfone In N,N-dimethyl-formamide at 100℃;		90%
In tetrahydrofuran
allyl 2,6-dihydroxybenzoate
168089-23-4

allyl 2,6-dihydroxybenzoate

4,6-dimethoxypyrimidin-2-yl methyl sulfone
113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

6-hydroxy-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid allyl ester
168089-07-4

6-hydroxy-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid allyl ester

Conditions
ConditionsYield
With ammonium chloride In N-methyl-acetamide90%
4,6-dimethoxypyrimidin-2-yl methyl sulfone
113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

(2S)-2-mercapto-3-methylbutyric acid
114423-53-9

(2S)-2-mercapto-3-methylbutyric acid

C11H16N2O4S

C11H16N2O4S

Conditions
ConditionsYield
Stage #1: (2S)-2-mercapto-3-methylbutyric acid With sodium hydroxide; water at 20℃; for 0.166667h;
Stage #2: 4,6-dimethoxypyrimidin-2-yl methyl sulfone In water; N,N-dimethyl-formamide at 0 - 20℃; for 1h;
Stage #3: With hydrogenchloride In water; N,N-dimethyl-formamide		90%
4,6-dimethoxypyrimidin-2-yl methyl sulfone
113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

methylamine
74-89-5

methylamine

4,6-dimethoxy-N-methylpyrimidin-2-amine

4,6-dimethoxy-N-methylpyrimidin-2-amine

Conditions
ConditionsYield
In ethanol; isopropyl alcohol at 130℃; for 0.5h; Microwave irradiation;89%
C9H9N3O

C9H9N3O

4,6-dimethoxypyrimidin-2-yl methyl sulfone
113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

C15H15N5O3

C15H15N5O3

Conditions
ConditionsYield
In 1,4-dioxane at 110℃; for 0.5h;89%
C19H18ClNO

C19H18ClNO

4,6-dimethoxypyrimidin-2-yl methyl sulfone
113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

C25H24ClN3O3

C25H24ClN3O3

Conditions
ConditionsYield
In 1,4-dioxane at 110℃; for 0.5h;89%
(R)-2-mercapto-3-methyl-butanoic acid
39801-53-1

(R)-2-mercapto-3-methyl-butanoic acid

4,6-dimethoxypyrimidin-2-yl methyl sulfone
113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

C11H16N2O4S

C11H16N2O4S

Conditions
ConditionsYield
Stage #1: (R)-2-mercapto-3-methyl-butanoic acid With sodium hydroxide; water at 20℃; for 0.166667h;
Stage #2: 4,6-dimethoxypyrimidin-2-yl methyl sulfone In water; N,N-dimethyl-formamide at 0 - 20℃; for 1h;
Stage #3: With hydrogenchloride In water; N,N-dimethyl-formamide		88%
4,6-dimethoxypyrimidin-2-yl methyl sulfone
113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

1-(2-hydroxybenzyl)benzimidazole

1-(2-hydroxybenzyl)benzimidazole

C20H18N4O3

C20H18N4O3

Conditions
ConditionsYield
In 1,4-dioxane at 110℃; for 0.5h;88%
C16H18N2O3

C16H18N2O3

4,6-dimethoxypyrimidin-2-yl methyl sulfone
113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

C22H24N4O5
420138-68-7

C22H24N4O5

Conditions
ConditionsYield
With potassium carbonate In 1,4-dioxane for 11h; Heating / reflux;87%
4-hydroxy-benzaldehyde
123-08-0

4-hydroxy-benzaldehyde

4,6-dimethoxypyrimidin-2-yl methyl sulfone
113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

4-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzaldehyde
491871-36-4

4-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzaldehyde

Conditions
ConditionsYield
With potassium carbonate In tetrahydrofuran for 8h; Reflux;87%
With potassium carbonate In tetrahydrofuran
With potassium carbonate In N,N-dimethyl-formamide at 60℃;
C22H18N2O

C22H18N2O

4,6-dimethoxypyrimidin-2-yl methyl sulfone
113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

C28H24N4O3

C28H24N4O3

Conditions
ConditionsYield
In 1,4-dioxane at 110℃; for 0.5h;87%
2-(1H-1,2,3-benzotriazol-1-ylmethyl)phenol
132980-32-6

2-(1H-1,2,3-benzotriazol-1-ylmethyl)phenol

4,6-dimethoxypyrimidin-2-yl methyl sulfone
113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

C19H17N5O3

C19H17N5O3

Conditions
ConditionsYield
In 1,4-dioxane at 110℃; for 0.5h;87%
4,6-dimethoxypyrimidin-2-yl methyl sulfone
113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

hydroquinone
123-31-9

hydroquinone

2-(4-hydroxyphenoxy)-4,6-dimethoxypyrimidine
1219621-66-5

2-(4-hydroxyphenoxy)-4,6-dimethoxypyrimidine

Conditions
ConditionsYield
With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide In dichloromethane; toluene at 60℃; Reflux; Inert atmosphere;86.5%
4-formyl-5-hydroxy-3-methylbenzothiophene
21240-84-6

4-formyl-5-hydroxy-3-methylbenzothiophene

4,6-dimethoxypyrimidin-2-yl methyl sulfone
113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

5-(4,6-dimethoxypyrimidin-2-yl)oxy-4-formyl-3-methylbenzothiophene
155008-23-4

5-(4,6-dimethoxypyrimidin-2-yl)oxy-4-formyl-3-methylbenzothiophene

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide86%
2-[(phenylamino)methyl]-1-azabenzene-3-ol
74803-54-6

2-[(phenylamino)methyl]-1-azabenzene-3-ol

4,6-dimethoxypyrimidin-2-yl methyl sulfone
113583-35-0

4,6-dimethoxypyrimidin-2-yl methyl sulfone

N-[2-((4,6-dimethoxypyrimid-2-yl)oxy)-6-azabenzyl]aniline

N-[2-((4,6-dimethoxypyrimid-2-yl)oxy)-6-azabenzyl]aniline

Conditions
ConditionsYield
With potassium carbonate In acetonitrile at 40 - 45℃; for 10h;86%

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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