1186194-84-2

Basic information

• Product Name: DIMETHYL (3-TRIFLUOROMETHYLBENZYL)MALONATE
• Synonyms: DIMETHYL (3-TRIFLUOROMETHYLBENZYL)MALONATE;DIMETHYL 2-(3-TRIFLUOROMETHYLBENZYL)MALONATE
• CAS NO: 1186194-84-2
• Molecular Formula: C13H13F3O4
• Molecular Weight: 290.24
• Mol File: 1186194-84-2.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: DIMETHYL (3-TRIFLUOROMETHYLBENZYL)MALONATE(CAS DataBase Reference)
• NIST Chemistry Reference: DIMETHYL (3-TRIFLUOROMETHYLBENZYL)MALONATE(1186194-84-2)
• EPA Substance Registry System: DIMETHYL (3-TRIFLUOROMETHYLBENZYL)MALONATE(1186194-84-2)

Safety Data

• Hazardous Substances Data: 1186194-84-2(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
DIMETHYL (3-TRIFLUOROMETHYLBENZYL)MALONATE is used as an intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the formation of complex molecular structures that can exhibit therapeutic properties.
Used in Agrochemical Industry:
In the agrochemical industry, DIMETHYL (3-TRIFLUOROMETHYLBENZYL)MALONATE is utilized as an intermediate in the production of agrochemicals, helping to create compounds that can protect crops and enhance agricultural productivity.
Used in Organic Synthesis:
DIMETHYL (3-TRIFLUOROMETHYLBENZYL)MALONATE is used as a reagent in organic synthesis, playing a crucial role in the formation of new organic compounds for a variety of applications, including the development of new materials and chemicals.
Used in Chemical Reactions:
As a reagent in chemical reactions, DIMETHYL (3-TRIFLUOROMETHYLBENZYL)MALONATE facilitates specific transformations and processes that are essential for the production of desired end products in various chemical industries.
It is important to handle DIMETHYL (3-TRIFLUOROMETHYLBENZYL)MALONATE with care, as it can pose health hazards if not used properly.

Upstream product

• 349-75-7 3-(trifluoromethyl)benzyl alcohol 
• 108-59-8 malonic acid dimethyl ester 
• 705-29-3 3-Trifluoromethylbenzyl chloride 

Downstream Products

• 1005450-55-4 (R)‐N‐(1‐(naphthalen‐1‐yl)ethyl)‐3‐(3‐trifluoromethylphenyl)propanamide 

Relevant articles and documents

Preparation method of cinacalcet hydrochloride and intermediate thereof

The invention discloses a preparation method of cinacalcet hydrochloride and an intermediate thereof. The invention provides a preparation method of an intermediate L-cinacalcet tartrate III of cinacalcet hydrochloride. The method comprises the following steps: step (1): in an organic solvent, in the presence of a chiral catalyst and a chiral ligand, an asymmetric hydrogenation reduction reactionis conducted on a cinacalcet intermediate II to obtain cinacalcet IV, wherein the chiral catalyst is bis (1, 5-cyclooctadiene)-rhodium trifluoromethanesulfonate, and the chiral ligand is (S)-3, 3'-bis(2, 4, 6-triisopropylphenyl)-1, 1'-di-2-naphthol cyclic phosphate; and (2) in an organic solvent, a neutralization reaction is conducted between cinacalcet IV and L-tartaric acid to obtain L-cinacalcet tartrate III. The preparation method disclosed by the invention has advantages of short route step, simple and safe operation and high total yield; and the prepared product has high purity, meets the requirements of bulk drugs, is low in production cost and is suitable for industrial production.

Palladium catalyzed direct benzylation/allylation of malonates with alcohols-: In situ C-O bond activation

High step- and atom-economy are the endlessly pursued in organic and pharmaceutical syntheses. Herein, a new method for directly coupling benzyl/allyl alcohols with malonates via a palladium catalyzed Tsuji-Trost type reaction was developed. The reaction was carried out in an organic carbonate solvent which would activate alcohols in situ, replacing the traditional pre-synthesized carbonates. The new process demonstrated high efficiency, high selectivity and high generality. A wide variety of mono-substituted and bis-substituted malonates were selectively produced under different conditions, and this method represents a more step- and atom-economical and environmentally benign synthetic protocol.