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98026-88-1

98026-88-1 Structure

98026-88-1 Structure
IdentificationBack Directory
[Name]

2-CHLORO-PYRIMIDINE-5-SULFONYL CHLORIDE
[CAS]

98026-88-1
[Synonyms]

2-chloro-5-pyrimidinesulfonyl chloride
2-Chloro-pyrimidine-5-sulphonylchloride
2-CHLORO-PYRIMIDINE-5-SULFONYL CHLORIDE
5-PyriMidinesulfonyl chloride, 2-chloro-
[Molecular Formula]

C4H2Cl2N2O2S
[MDL Number]

MFCD06657208
[MOL File]

98026-88-1.mol
[Molecular Weight]

213.04
Chemical PropertiesBack Directory
[Melting point ]

66-67 °C
[Boiling point ]

383.2±15.0 °C(Predicted)
[density ]

1.711±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C, stored under nitrogen
[form ]

Crystalline Powder or Powder
[pka]

-5.59±0.22(Predicted)
[color ]

White to cream
[InChI]

InChI=1S/C4H2Cl2N2O2S/c5-4-7-1-3(2-8-4)11(6,9)10/h1-2H
[InChIKey]

DMAOAJYJIATWJS-UHFFFAOYSA-N
[SMILES]

C1(Cl)=NC=C(S(Cl)(=O)=O)C=N1
Safety DataBack Directory
[Symbol(GHS) ]


GHS05
[Signal word ]

Danger
[Hazard statements ]

H302-H312-H314-H332
[Precautionary statements ]

P280-P305+P351+P338-P310
[Hazard Codes ]

Xi
[Risk Statements ]

36
[Safety Statements ]

26
[HazardClass ]

IRRITANT
[HS Code ]

2933599590
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-oxo-1,2-dihydro-pyrimidine-5-sulfonic acid
Spectrum DetailBack Directory
[Spectrum Detail]

2-CHLORO-PYRIMIDINE-5-SULFONYL CHLORIDE(98026-88-1)1HNMR
2-CHLORO-PYRIMIDINE-5-SULFONYL CHLORIDE(98026-88-1)1HNMR
Hazard InformationBack Directory
[Synthesis]

2-oxo-1,2-dihydro-pyrimidine-5-sulfonic acid

40828-51-1

2-CHLORO-PYRIMIDINE-5-SULFONYL CHLORIDE

98026-88-1

The general procedure for synthesizing 2-chloropyrimidine-5-sulfonyl chloride using 2-hydroxypyrimidine-5-sulfonic acid as a starting material was as follows: referring to the method of Example 26, 2-hydroxypyrimidine-5-sulfonic acid (12.8 g) was mixed with phosphorus pentachloride (37.8 g) and the reaction was stirred for 4 hrs at 180°C. Upon completion of the reaction, the mixture was cooled to room temperature and toluene (200 mL) was added to dissolve the product, followed by filtration to remove insoluble impurities. The filtrate was washed with ice water and dried over anhydrous magnesium sulfate. After removal of the solvent by evaporation under reduced pressure, the residue was allowed to stand in a refrigerator for one day to give 2-chloropyrimidine-5-sulfonyl chloride in the form of a light yellow solid (yield 14.8 g, 96% yield). The product was characterized by 1H-NMR (CDCl3) with chemical shift δ: 9.19 (2H, s).

[References]

[1] Patent: US2007/60623, 2007, A1. Location in patent: Page/Page column 23
[2] Patent: WO2006/36024, 2006, A1. Location in patent: Page/Page column 159
[3] Patent: EP2336107, 2015, B1. Location in patent: Paragraph 0303
[4] Patent: WO2004/74283, 2004, A1. Location in patent: Page 87
[5] Patent: EP1803709, 2007, A1
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