210992-70-4

Basic information

• Product Name: 1H-PYRAZOLE-4-CARBOXYLIC ACID, 1-(2-CHLORO-4-PYRIMIDINYL)-5-METHYL-, ETHYL ESTER
• Synonyms: 1H-PYRAZOLE-4-CARBOXYLIC ACID, 1-(2-CHLORO-4-PYRIMIDINYL)-5-METHYL-, ETHYL ESTER
• CAS NO: 210992-70-4
• Molecular Formula: C11H11ClN4O2
• Molecular Weight: 266.68
• Mol File: 210992-70-4.mol

Chemical Properties

• Boiling Point: 429.6°C at 760 mmHg
• Flash Point: 213.6°C
• Appearance: /
• Density: 1.41g/cm³
• Vapor Pressure: 1.38E-07mmHg at 25°C
• Refractive Index: 1.635
• PKA: -3.90±0.31(Predicted)
• CAS DataBase Reference: 1H-PYRAZOLE-4-CARBOXYLIC ACID, 1-(2-CHLORO-4-PYRIMIDINYL)-5-METHYL-, ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-PYRAZOLE-4-CARBOXYLIC ACID, 1-(2-CHLORO-4-PYRIMIDINYL)-5-METHYL-, ETHYL ESTER(210992-70-4)
• EPA Substance Registry System: 1H-PYRAZOLE-4-CARBOXYLIC ACID, 1-(2-CHLORO-4-PYRIMIDINYL)-5-METHYL-, ETHYL ESTER(210992-70-4)

Safety Data

• Hazardous Substances Data: 210992-70-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C11H11ClN4O2/c1-3-18-10(17)8-6-14-16(7(8)2)9-4-5-13-11(12)15-9/h4-6H,3H2,1-2H3

Relevant articles and documents

Pyrazole derivatives

The present invention relates to cis- and trans-forms of pyrazole derivatives, salts thereof, or agents containing the same, and represented by the general formula (I): wherein G represents a nitrogen containing saturated heterocyclic structure represented by the following formula: These compounds exhibit anti-tumor activity on 5-FU-resistant tumors and effects on P glycoprotein expressing, multiple-drug resistant tumors. An example of a pyrazole derivative which demonstrates 50% inhibition of tumor cell growth is 3-[4-(3-chloro-5-fluorophenyl)-1 piperazinyl]-1-[1-(3-chloro-2-pyridyl)-5-methyl-4-pyrazolyl)-1-trans-propene hydrochloride. Synthesis of the compounds represented by formula (I) can be prepared by any one of various routes such as a Mannich reaction, a Wittig reaction, reductive amination or substitution by allylation.