130530-01-7

Basic information

• Product Name: 1-Methyl-4-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid
• Synonyms: 1-Methyl-4-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid;3-Carboxy-1-methyl-4-(trifluoromethyl)-1H-pyrrole;1H-Pyrrole-3-carboxylic acid, 1-methyl-4-(trifluoromethyl)-
• CAS NO: 130530-01-7
• Molecular Formula: C₇H₆F₃NO₂
• Molecular Weight: 193
• Mol File: 130530-01-7.mol
• Article Data: 6

Chemical Properties

• Melting Point: 210-212°
• Boiling Point: 264.8±40.0 °C(Predicted)
• Appearance: /
• Density: 1.42±0.1 g/cm3(Predicted)
• PKA: 3.32±0.50(Predicted)
• CAS DataBase Reference: 1-Methyl-4-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Methyl-4-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid(130530-01-7)
• EPA Substance Registry System: 1-Methyl-4-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid(130530-01-7)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 130530-01-7(Hazardous Substances Data)

Usage

Pyrrole derivative

A derivative of the 5-membered heterocyclic compound pyrrole This indicates that the compound is based on a pyrrole ring, which consists of four carbon atoms and one nitrogen atom.

Methyl group attachment

A methyl group (CH3) is attached to the pyrrole ring This means that one of the carbon atoms in the pyrrole ring has a CH3 group attached to it, which can influence the compound's properties and reactivity.

Trifluoromethyl group attachment

A trifluoromethyl group (CF3) is attached to the pyrrole ring This indicates that another carbon atom in the pyrrole ring has a CF3 group attached to it, which can further affect the compound's properties and reactivity.

Carboxylic acid group

A carboxylic acid group (COOH) is present in the compound This functional group is known for its acidic properties and can participate in various chemical reactions, such as esterification and amide formation.

Pharmaceutical industry use

Building block for the synthesis of various biologically active molecules This highlights the compound's importance in the creation of new drugs and other biologically relevant molecules.

Potential applications

Antimicrobial and antifungal properties This suggests that the compound may have potential applications in treating infections caused by bacteria and fungi.

Hazards and handling

Should be handled with care due to potential hazards if not properly managed This serves as a warning that the compound may pose risks to human health or the environment if not handled according to proper safety guidelines.

Downstream Products

• 723747-89-5 C₂₁H₁₅F₃N₂O 

Relevant articles and documents

New carboxylic acid amides of the pyrrole series: Synthetic routes and biological aspects

Complex II inhibitors play an important role in agrochemical fungicide research and have been known for more than 40 years. With the introduction of ortho-substituted heterocyclic amides, a breakthrough in activity level and spectrum within this class was achieved. In the meantime all major agrochemical companies have entered this field. In this paper, a special complex II subclass, the pyrrole carboxamides, will be introduced in more detail and the synthesis of selected compounds as well as a short biological SAR analysis of the pyrrole subclass will be discussed.

Trifluoromethylpyrrolcarboxamides

The invention relates to pesticidal trifluoromethylpyrrolcarboxamides of formula I wherein R1is hydrogen, halogen, C1-4haloalkyl or C1-4alkyl, R2is C1-4alkyl, C1-4haloalkyl, C1-4alkoxy-C1-4alkyl, cyano, C1-4alkylsulfonyl, phenylsulfonyl, di(C1-4alkyl)aminosulfonyl, C1-6alkylcarbonyl, benzoyl, or substituted phenylsulfonyl or benzoyl, and A is a group wherein R3is C1-6alkyl, C1-6haloalkyl, C2-6alkenyl, C2-6haloalkenyl, C2-6alkinyl, C1-6alkoxy, C1-6haloalkoxy, C2-6alkenyloxy, C2-6haloalkenyloxy, C2-6alkinyloxy, C3-7cycloalkyl, C1-4alkyl-C3-7cycloalkyl, C4-7cycloalkenyl, C1-4alkyl-C4-7cycloalkenyl, C3-7cycloalkyloxy, C1-4alkyl-C3-7cycloalkyloxy, C5-7cycloalkenyloxy, C1-4alkyl-C5-7cycloalkenyloxy, phenyl, naphthyl, phenoxy, naphthyloxy, or substituted phenyl or phenoxy wherein the substitutents are one to three groups independently selected from halogen, C1-4alkyl, C1-4alkoxy, C1-4alkylthio, cyano, C1-4alkoxycarbonyl, C1-4alkylcarbonyl, C1-4haloalkyl, C1-4haloalkoxy, methylenedioxy or difluoromethylenedioxy, or phenyl; R4is hydrogen, halogen, C1-4alkyl, C1-4haloalkyl, C1-4alkoxy or C1-4haloalkoxy; and R5, R6and R7independently of each other are C1-6alkyl, C3-7cycloalkyl or C3-7cycloalkyl-C2-14alkyl. The compounds have plant-protecting properties and are suitable for protecting plants against infestation by phytopathogenic microorganisms.

Pyrrole carbonitrile and nitropyrrole insecticidal and acaricidal and molluscicidal agents

There are provided certain insecticidal, acaricidal and molluscicidal pyrrole carbonitrile and nitropyrrole compounds and a method for controlling insects, acarids and mollusks therewith. The invention also provides a method for protecting growing plants