5-氯-2-(甲基硫代)嘧啶-4-羧酸

5-氯-2-(甲基硫代)嘧啶-4-羧酸 - Names and Identifiers

Name	5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid
Synonyms	BUTTPARK 9718-95 AKOS BBS-00000276 5-CHLORO-2-(METHYLTHIO)PYRIMIDINE-4-CARBOXYLIC ACID 5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid 5-Chloro-2-methylsulfanyl-pyrimidine-4-carboxylic acid 5-CHLORO-2-(METHYLSULFANYL)-4-PYRIMIDINECARBOXYLIC ACID 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylic acid 5-Chloro-2-(methylsulphanyl)pyrimidine-4-carboxylic acid, 4-Carboxy-5-chloropyrimidin-2-yl methyl sulphide, 4-Carboxy-5-chloro-2-(methylthio)pyrimidine
CAS	61727-33-1
EINECS	626-210-8
InChI	InChI=1/C6H5ClN2O2S/c1-12-6-8-2-3(7)4(9-6)5(10)11/h2H,1H3,(H,10,11)

5-氯-2-(甲基硫代)嘧啶-4-羧酸 - Physico-chemical Properties

Molecular Formula	C6H5ClN2O2S
Molar Mass	204.63
Density	1.59±0.1 g/cm3(Predicted)
Melting Point	165 °C (dec.)
Boling Point	396.4±22.0 °C(Predicted)
Flash Point	193.5°C
Vapor Presure	5.4E-07mmHg at 25°C
Appearance	Yellow powder
pKa	1.20±0.25(Predicted)
Storage Condition	Keep in dark place,Sealed in dry,Room Temperature
Refractive Index	1.638
MDL	MFCD00173907

5-氯-2-(甲基硫代)嘧啶-4-羧酸 - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	R36 - Irritating to the eyes R37/38 - Irritating to respiratory system and skin. R36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves. S37/39 - Wear suitable gloves and eye/face protection
WGK Germany	3
Hazard Note	Irritant

5-氯-2-(甲基硫代)嘧啶-4-羧酸 - Reference Information

Use

5-chloro-2-(methylthio) pyrimidinyl-4-carboxylic acid is an organic intermediate, and it has been reported in the literature that it can be used to prepare phosphatidylinositol phosphokinase inhibitors and ALK kinase inhibitors.

Preparation

Dissolve S-methylthiourea sulfate (30.0g) in a warm solution of mucochloric acid (18.3g) in water (430 mL), and then cool to 18°C.
Triethylamine (33.0g) is added within 1.5 hours, and mechanical stirring is carried out at the same time. The next day, add a little concentrated hydrochloric acid to the solution and filter to remove the generated tar. The solution was further acidified to pH =
4 to obtain solid product (8.5g,38%), 5-chloro-2-(methylthio) pyrimidin-4-carboxylic acid in yield (8.5g,38%). Melting point: 167-169 c.

Last Update：2024-04-09 20:49:11