1813-96-3

Basic information

• Product Name: 3-[(3-TRIFLUOROMETHYL)PHENYL]-1-PROPENE
• Synonyms: 3-[(3-TRIFLUOROMETHYL)PHENYL]-1-PROPENE;4-Allyl(trifluoroMethyl)benzene;1-allyl-3-(trifluoromethyl)benzene
• CAS NO: 1813-96-3
• Molecular Formula: C₁₀H₉F₃
• Molecular Weight: 186.18
• Mol File: 1813-96-3.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 167.488°C at 760 mmHg
• Flash Point: 47.215°C
• Appearance: /
• Density: 1.112g/cm³
• Vapor Pressure: 2.239mmHg at 25°C
• Refractive Index: 1.452
• CAS DataBase Reference: 3-[(3-TRIFLUOROMETHYL)PHENYL]-1-PROPENE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-[(3-TRIFLUOROMETHYL)PHENYL]-1-PROPENE(1813-96-3)
• EPA Substance Registry System: 3-[(3-TRIFLUOROMETHYL)PHENYL]-1-PROPENE(1813-96-3)

Safety Data

• Hazardous Substances Data: 1813-96-3(Hazardous Substances Data)

Usage

Description

3-[(3-TRIFLUOROMETHYL)PHENYL]-1-PROPENE, also known as 1-Allyl-3-(trifluoromethyl)benzene, is an organic compound characterized by its unique molecular structure featuring a trifluoromethyl group attached to a phenyl ring and an allyl group connected to the same ring. 3-[(3-TRIFLUOROMETHYL)PHENYL]-1-PROPENE is known for its specific chemical properties and potential applications in various industries.

Uses

Used in Pharmaceutical Industry:
3-[(3-TRIFLUOMETHYL)PHENYL]-1-PROPENE is used as an impurity in the production of Cinacalcet (C441790), which is the first calcimimetic drug approved by the United States Food and Drug Administration. The application reason for this compound is its role in the synthesis or manufacturing process of Cinacalcet, a drug used for the treatment of secondary hyperparathyroidism in patients with chronic kidney disease.

InChI:InChI=1/C10H9F3/c1-2-4-8-5-3-6-9(7-8)10(11,12)13/h2-3,5-7H,1,4H2

Upstream product

• 106-95-6 allyl bromide 
• 1423-26-3 (meta-(trifluoromethyl)phenyl)boronic acid 
• 401-78-5 3-bromo-1-trifluoromethylbenzene 
• 74-85-1 ethene 
• 705-29-3 3-Trifluoromethylbenzyl chloride 
• 591-87-7 Allyl acetate 
• 107-05-1 3-chloroprop-1-ene 
• 75-04-7 ethylamine 
• 154140-20-2 2-(trifluoromethylsulfonyloxy)-1-<3-(trifluoromethyl)phenyl>propane 
• 154140-19-9 2-(methylsulfonyloxy)-1-<3-(trifluoromethyl)phenyl>propane 
• 135561-78-3 (R)-1-(3’-trifluoromethylphenyl)-2-propanol 
• 402-26-6 3-(trifluoromethyl)phenylmagnesium bromide 
• 24850-33-7 allyltributylstanane 

Downstream Products

• 21906-39-8 3-(trifluoromethyl)phenylacetone 
• 402-24-4 3-(trifluoromethyl)styrene 
• 1268451-46-2 3-(3-(trifluoromethyl)phenyl)-3,4-dihydroisoquinolin-1(2H)-one 

Relevant articles and documents

Palladium-Catalyzed meta-C-H Olefination of Arene-Tethered Diols Directed by Well-Designed Pyrimidine-Based Group

The palladium-catalyzed meta-olefination of arene-tethered diols attached to a well-designed pyrimidine moiety is presented. Applications of the protocol are illustrated by the synthesis of various diol-based natural products, such as coumarins, phenylpropanoids, stilbenes, and chalcones. Advantages of this method are demonstrated through the easy removal of the template and a gram-scale olefination reaction. Finally, experimental verification, including 1H NMR, ESI-MS and IR, and DFT studies are undertaken to elucidate the mechanistic complexity.

Regio- and chemoselective rearrangement of terminal epoxides into methyl alkyl and aryl ketones

The development of the highly active pincer-type rhodium catalyst 2 for the nucleophilic Meinwald rearrangement of functionalised terminal epoxides into methyl ketones under mild conditions is presented. An excellent regio- and chemoselectivity is obtained for the first time for aryl oxiranes.

Nickel-catalyzed heck-type reactions of benzyl chlorides and simple olefins

Nickel-catalyzed intermolecular benzylation and heterobenzylation of unactivated alkenes to provide functionalized allylbenzene derivatives are described. A wide range of both the benzyl chloride and alkene coupling partners are tolerated. In contrast to analogous palladium-catalyzed variants of this process, all reactions described herein employ electronically unbiased aliphatic olefins (including ethylene), proceed at room temperature, and provide 1,1-disubstituted olefins over the more commonly observed 1,2-disubstituted olefins with very high selectivity.