149849-92-3

Basic information

• Product Name: 1-(5-TRIFLUOROMETHYL-[1,3,4]THIADIAZOL-2-YL)-PIPERAZINE
• Synonyms: CHEMBRDG-BB 4010944;AKOS BBS-00002507;2-Chloropyrimidine-4-carboxylic acid;4-Pyrimidinecarboxylic acid, 2-chloro-;4-Carboxy-2-chloropyrimidine;4-Carboxy-2-chloropyrimidine, 4-Carboxy-2-chloro-1,3-diazine;2-Chloro-pyrimidin-4-carboxylic acid
• CAS NO: 149849-92-3
• Molecular Formula: C₅H₃ClN₂O₂
• Molecular Weight: 158.54
• Product Categories: pharmacetical;pyrimidine;Building Blocks;Heterocycle-Pyrimidine series
• Mol File: 149849-92-3.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 411.407 °C at 760 mmHg
• Flash Point: 202.612 °C
• Appearance: /
• Density: 1.579
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.598
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 2.44±0.10(Predicted)
• CAS DataBase Reference: 1-(5-TRIFLUOROMETHYL-[1,3,4]THIADIAZOL-2-YL)-PIPERAZINE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(5-TRIFLUOROMETHYL-[1,3,4]THIADIAZOL-2-YL)-PIPERAZINE(149849-92-3)
• EPA Substance Registry System: 1-(5-TRIFLUOROMETHYL-[1,3,4]THIADIAZOL-2-YL)-PIPERAZINE(149849-92-3)

Safety Data

• Statements: 36/37/38
• Safety Statements: 22-26-36/37/39
• HazardClass: IRRITANT
• Hazardous Substances Data: 149849-92-3(Hazardous Substances Data)

Usage

Chemical Properties

Yellow to light brown or brown solid

InChI:InChI=1/C5H3ClN2O2/c6-5-7-2-1-3(8-5)4(9)10/h1-2H,(H,9,10)

Upstream product

• 149849-93-4 2-chloropyrimidine-4-carboxylic acid chloride 
• 13036-57-2 2-chloro-4-methylpyrimidine 
• 75833-38-4 2-chloro-pyrimidine-4-carbonitrile 

Downstream Products

• 1196152-00-7 2-chloropyrimidine-4-carboxylic acid ethyl ester 
• 1227191-22-1 2-chloro-N-[3-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)benzyl]pyrimidine-4-carboxamide 
• 1312556-75-4 2-isopropoxypyrimidine-4-carboxylic acid 
• 220041-42-9 tert-butyl 2-chloropyrimidine-4-carboxylate 
• 1346555-41-6 (R)-tert-butyl 2-(2-methyl-4-(4-(methylsulfonyl)phenyl)piperazin-1-yl)pyrimidine-4-carboxylate 
• 1346555-42-7 (R)-tert-butyl 2-(4-benzyl-2-methylpiperazin-1-yl)pyrimidine-4-carboxylate 
• 1351933-87-3 2-(4-(benzyloxy)phenyl)pyrimidine-4-carboxylic acid 
• 1236277-63-6 2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid 
• 22536-66-9 2-chloro-4-pyrimidinecarboxamide 
• 1360802-78-3 2-(phenylamino)pyrimidine-4-carboxylic acid 

Relevant articles and documents

Continuous synthesis method of 2-chloropyrimidine-4-formic acid compound

The invention provides a continuous synthesis method of a 2-chloropyrimidine-4-formic acid compound. The 2-chloropyrimidine-4-formic acid compound has a structure represented by a formula I, wherein in the formula I, R1 and R2 are respectively and independently selected from hydrogen, alkoxy, aryl, benzyl or fluorine. The synthesis method comprises the following steps: S1, under the action of a non-noble metal catalyst, carrying out continuous methylation reaction on a compound A and a methyl Grignard reagent B to obtain a compound C, wherein the compound A is a compound shown in the specification, the compound C is a compound shown in the specification, R1 and R2 are respectively and independently selected from hydrogen, alkoxy, aryl, benzyl or fluorine, and the non-noble metal catalyst is one or more of ferric salt, cobalt salt and nickel salt; and S2, carrying out continuous oxidation reaction on the compound C under the action of oxygen, an oxidation catalyst and an additive, and thus obtaining the 2-chloropyrimidine-4-formic acid compound. By adopting the process provided by the invention to synthesize the 2-chloropyrimidine-4-formic acid compound, the aspects of cost, yield,environmental friendliness and the like can be considered.

Method for preparing 2-chloropyrimidine-4 formic acid

The invention relates to a method for preparing 2-chloropyrimidine-4 formic acid. The method comprises the following steps: performing debydrochlorination reaction on 2-chlorine-4-methyl pyridine hydrochloride and phosphorus oxychloride and separating, thereby acquiring 2-chlorine-4-methyl pyridine; and performing methyl oxidizing reaction on 2-chlorine-4-methyl pyridine and methyl oxidant and separating, thereby acquiring 2-chloropyrimidine-4 formic acid. According to the process route provided by the invention, the yield of the target product is high, the process route can be amplified, the raw materials can be easily acquired and have low cost, and industrial production can be carried out.