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113583-35-0

113583-35-0 Structure

113583-35-0 Structure
IdentificationMore
[Name]

2-Methylsulfonyl-4,6-dimethoxypyrimidine
[CAS]

113583-35-0
[Synonyms]

2-METHANESULFONYL-4,6-DIMETHOXY-PYRIMIDINE
2-METHYLSULFONY-4,6-DIMETHOXYPYRIDINE
2-METHYLSULFONYL-4,6-DIMETHOXYPYRIMIDINE
4,6-DIMETHOXY-2-METHYL-SULFONYLPYRIMIDIME
4,6-DIMETHOXY-2-(METHYLSULFONYL)PYRIMIDINE
DMMSP
PYRIMIDINE, 4,6-DIMETHOXY-2-(METHYLSULFONYL)-
2-Methylsulfony-4,5-Dimethoxypyridine
2-methylsulfony-4,6-dimethoxypyrimidine
4,6-DIMETHYL-2-(METHOXYSULFONYL)PYRIMIDINE , 97%
4,6-dimethoxy-2-mesyl-pyrimidine
DIMETHOXY-2-METHANESULFONYLPYRIMIDINE
2-methylsulphonyl-4,6-dimethoxypyrimidine
4,6-DIMETHOXY-2-(METHYLSULFONYL)PYRIMIDINE 98+%
4,6-Dimethoxy-2-(Methylsulphonyl)Pyrimidine
4,6-DIMETHOXY-2-(METHYLSULFONYL)
4,6-Dimethyloxide-2-methylsulfonylpyrimidine
2-Methylsulfonyl-4,6-dimethoxypyrimidine ,98%
[EINECS(EC#)]

601-266-6
[Molecular Formula]

C7H10N2O4S
[MDL Number]

MFCD00672151
[Molecular Weight]

218.23
[MOL File]

113583-35-0.mol
Chemical PropertiesBack Directory
[Appearance]

White to off-white powder
[Melting point ]

129-133 °C(lit.)
[Boiling point ]

412.6±48.0 °C(Predicted)
[density ]

1.317±0.06 g/cm3(Predicted)
[storage temp. ]

Refrigerator (+4°C)
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

-3.39±0.30(Predicted)
[color ]

Whtie
[Detection Methods]

HPLC,NMR
[InChI]

InChI=1S/C7H10N2O4S/c1-12-5-4-6(13-2)9-7(8-5)14(3,10)11/h4H,1-3H3
[InChIKey]

ITDVJJVNAASTRS-UHFFFAOYSA-N
[SMILES]

C1(S(C)(=O)=O)=NC(OC)=CC(OC)=N1
[CAS DataBase Reference]

113583-35-0(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H335-H315-H319
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29335990
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium Methoxide-->Pyramat-->4,6-Dimethoxy-2-methylthiopyrimidine-->Acetic acid-->Sodium tungstate-->Hydrogen peroxide
[Preparation Products]

Pyribenzoxim-->Bispyribac-sodium-->2-[(4,6-Dimethoxypyrimidin-2-yl)oxy]benzoic acid
Hazard InformationBack Directory
[Chemical Properties]

White to off-white powder
[Uses]

4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine was used to prepare nonpeptidic endothelin-A receptor antagonists.
[Preparation]

One method for preparing 2-Methanesulfonyl-4,6-dimethoxypyrimidine comprises with 4, 6-dihydroxyl-2-methylthiopyrimidine is a main raw material, and through superchlorination, methoxylation and oxidizing reaction, reaction formula is as follows:
2-Methanesulfonyl-4,6-dimethoxypyrimidine synthesis
[General Description]

4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine can be prepared by the oxidation of 2-methylthio-4,6-dimethoxypyrimidine.
[Synthesis]

4,6-Dimethoxy-2-methylthiopyrimidine

90905-46-7

2-Methanesulfonyl-4,6-dimethoxypyrimidine

113583-35-0

Example 10: Synthesis of 4,6-dimethoxy-2-(methylsulfonyl)pyrimidine To 200 mL of acetic acid was added 3% sodium tungstate as a catalyst. Subsequently, 1.0 mol of 2-methylsulfanyl-4,6-dimethoxypyrimidine was added to the solution and stirred until completely dissolved to form a clarified solution. The reaction mixture was heated to 40°C. Over a period of 4-8 hours, 2.1 mol of 30% H2O2 solution was slowly added to the heated reaction mixture and stirring was continued at 40 °C for 3-5 hours. After that, 0.05 mol of 30% H2O2 solution was added supplementally and stirring was continued at the same temperature until the reaction was complete (the progress of the reaction was monitored by TLC or HPLC). After completion of the reaction, the reaction mixture was cooled to room temperature and the precipitated solid was collected by filtration. The resulting solid was washed sequentially with aqueous acetic acid and deionized water to remove impurities. Finally, the washed solid was dried under appropriate conditions to obtain the target product in 83% yield. The filtrate portion was extracted with dichloroethane, and after separating the organic layer, the dichloroethane layer was concentrated to give a residue of about 42 g containing a small amount of product in about 1-1.5% yield.

[References]

[1] Asian Journal of Chemistry, 2014, vol. 26, # 1, p. 313 - 314
[2] Journal of Agricultural and Food Chemistry, 2018, vol. 66, # 15, p. 3773 - 3782
[3] Pesticide Science, 1996, vol. 47, # 2, p. 115 - 124
[4] Patent: WO2014/128719, 2014, A2. Location in patent: Page/Page column 17
[5] Journal of Labelled Compounds and Radiopharmaceuticals, 2006, vol. 49, # 4, p. 339 - 343
Spectrum DetailBack Directory
[Spectrum Detail]

2-Methanesulfonyl-4,6-dimethoxypyrimidine(113583-35-0)1HNMR
2-Methanesulfonyl-4,6-dimethoxypyrimidine(113583-35-0)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Methylsulfonyl-4,6-dimethoxypyrimidine(113583-35-0)
[Alfa Aesar]

4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine, 96%(113583-35-0)
[Sigma Aldrich]

113583-35-0(sigmaaldrich)
[TCI AMERICA]

4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine,>98.0%(GC)(113583-35-0)
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