1006707-71-6

Basic information

• Product Name: methyl 1-(trifluoromethyl)isoquinoline-3-carboxylate
• Synonyms: methyl 1-(trifluoromethyl)isoquinoline-3-carboxylate
• CAS NO: 1006707-71-6
• Molecular Formula: C₁₂H₈F₃NO₂
• Molecular Weight: 255
• Mol File: 1006707-71-6.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• CAS DataBase Reference: methyl 1-(trifluoromethyl)isoquinoline-3-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 1-(trifluoromethyl)isoquinoline-3-carboxylate(1006707-71-6)
• EPA Substance Registry System: methyl 1-(trifluoromethyl)isoquinoline-3-carboxylate(1006707-71-6)

Safety Data

• Hazardous Substances Data: 1006707-71-6(Hazardous Substances Data)

Usage

General Description

Methyl 1-(trifluoromethyl)isoquinoline-3-carboxylate is a chemical compound with the molecular formula C13H9F3NO2. It is a derivative of isoquinoline, a heterocyclic aromatic organic compound. This chemical has a trifluoromethyl group attached to the isoquinoline ring, and a methyl ester group at the 3-carboxylate position. Methyl 1-(trifluoromethyl)isoquinoline-3-carboxylate has potential applications in pharmaceutical and agrochemical industries, due to its structural features and potential biological activities. Its specific properties and potential uses would depend on the context in which it is being considered.

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Relevant articles and documents

Regiospecific Synthesis of 1-Trifluoromethylisoquinolines Enabled by Photoredox Somophilic Vinyl Isocyanide Insertion

A strategy has been developed for the regiospecific synthesis of 1-trifluoromethylisoquinoline derivatives. This strategy is enabled by a photoredox vinyl isocyanide insertion with the help of Umemoto's reagent. The methodology presented here provides an access to highly fuctionalized 1-trifluoromethylisoquinolines regiospecifically under mild conditions in good-to-excellent chemical yields. A detailed mechanism is proposed, which is supported by experiments and theoretical calculations.

Orthogonal synthesis of indolines and isoquinolines via aryne annulation

Described in this report is the development of two unique methodologies exploiting the reactivity of arynes. Reaction of N-carbamoyl-functionalized enamine derivatives with benzyne affords substituted indolines. An orthogonal reactivity is uncovered when related enamine derivatives are modified as amides, such that isoquinolines are formed as the product of condensation with benzyne. This latter transformation is applied to a concise total synthesis of the opiate alkaloid papaverine. Copyright