CAS No.113583-35-0,2-Methylsulfonyl-4,6-dimethoxypyrimidine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	113583-35-0
Name:	2-Methylsulfonyl-4,6-dimethoxypyrimidine
Article Data:	14

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

Synthetic route

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

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

Conditions

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%

: 20277-69-4
sodium methansulfinate

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

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

Conditions

Conditions	Yield
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

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

: 1979-98-2
4,6-dihydroxy-2-methylmercaptopyrimidine

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

Conditions

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

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

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

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

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%

: 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

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide	95%

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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