PK11000 | Pyrimidines

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Quality Control of PK11000 Purity: 99% SDS Specification

COA

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NMR

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CNMR

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HPLC

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LC-MS

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Product Details of PK11000

CAS No. :	38275-34-2
Formula :	C₆H₅ClN₂O₄S
M.W :	236.63
SMILES Code :	CS(=O)(=O)C1=NC(C(O)=O)=C(Cl)C=N1
Synonyms :	PK11000
MDL No. :	MFCD00507244
InChI Key :	WZUPWJVRWIVWEF-UHFFFAOYSA-N
Pubchem ID :	1241459

Safety of PK11000

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H317-H319
Precautionary Statements:	P280-P305+P351+P338

Application In Synthesis of PK11000

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 38275-34-2 ]

[ 38275-34-2 ] Synthesis Path-Downstream 1~35

1
[ 38275-34-2 ]
[ 216432-42-7 ]

References: [1]Chemistry of Heterocyclic Compounds,1998,vol. 34,p. 324 - 328.

3
[ 61727-33-1 ]
[ 38275-34-2 ]

Yield	Reaction Conditions	Operation in experiment
63%	With dihydrogen peroxide; acetic acid; In water; at 20 - 25℃; for 97.0h;	3A. 5-Chloro-2-(methylsulfonyl)pyrimidine-4-carboxylic acid A stirred mixture of 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid (8.0 g, 39 mmol) and acetic acid (30 mL) was treated dropwise with 25% aqueous hydrogen peroxide (11.5 mL, 85 mmol) over 1 hour and stirred at room temperature for four days. The reaction mixture was filtered and the solid was washed with cold water (2×50 mL) and dried to afford the title compound (5.8 g, 63% yield) as a white solid. 1H NMR (400 MHz, CDCl3) 8.57 (s, 1H), 2.71 (s, 3H).

References: [1]Patent: US2007/270438,2007,A1 .Location in patent: Page/Page column 34.
[2]Synthetic Communications,2002,vol. 32,p. 153 - 157.
[3]Synthetic Communications,2007,vol. 37,p. 2231 - 2241.

4
[ 38275-34-2 ]
[ 38275-47-7 ]

Yield	Reaction Conditions	Operation in experiment
88%	With methoxybenzene;Heating / reflux;	3B. 5-Chloro-2-(methylsulfonyl)pyrimidine 5-Chloro-2-(methylsulfonyl)pyrimidine-4-carboxylic acid (5.7 g, 24 mmol) was refluxed in anisole (8 mL) until the evolution of carbon dioxide ceased. The reaction mixture was cooled to room temperature and filtered. The solid was washed with light petroleum ether (1×50 mL) and dried to obtain the title compound (4.10 g, 88% yield) as a light orange solid. ESI-MS: 193.5 (MH+); HPLC Rf: 1.8 minutes (HPLC method 1); HPLC purity: 100%.

References: [1]Patent: US2007/270438,2007,A1 .Location in patent: Page/Page column 34.
[2]Synthetic Communications,2002,vol. 32,p. 153 - 157.
[3]Journal of Heterocyclic Chemistry,2003,vol. 40,p. 219 - 224.

5
[ 100-52-7 ]
[ 38275-34-2 ]
[ 38275-47-7 ]
4-(α-hydroxybenzyl)-5-chloro-2-methylsulfonylpyrimidine [ No CAS ]

References: [1]Journal of Heterocyclic Chemistry,2003,vol. 40,p. 219 - 224.

6
[ 1458-98-6 ]
[ 38275-34-2 ]
5-chloro-4-(2-methyl-2-propenyloxy)-2-methylsulfonylpyrimidine [ No CAS ]