40650-31-5 Usage
Description
1H-Indene, 1-(1,1-dimethylethyl)-, also known as 1-(1,1-dimethylethyl)-1H-Indene, is a chemical compound with the molecular formula C15H18. It is a colorless to light yellow liquid that is insoluble in water but soluble in organic solvents. 1H-Indene, 1-(1,1-dimethylethyl)is known for its low toxicity and is not considered a significant health hazard when handled and used properly.
Uses
Used in Plastics and Resins Industry:
1H-Indene, 1-(1,1-dimethylethyl)is used as a raw material for the manufacturing of plastics and resins. Its properties contribute to the development of various types of plastics and resins with specific characteristics required for different applications.
Used in Industrial Chemicals Production:
1H-Indene, 1-(1,1-dimethylethyl)is also utilized in the production of industrial chemicals. Its unique chemical structure allows it to be a valuable component in the synthesis of a range of industrial chemicals used in various sectors.
Used as a Solvent in Chemical Reactions and Processes:
1H-Indene, 1-(1,1-dimethylethyl)serves as a solvent in various chemical reactions and processes. Its solubility in organic solvents makes it suitable for use in a wide array of chemical applications, facilitating reactions and improving process efficiency.
Used in Pharmaceutical Production:
As a raw material, 1H-Indene, 1-(1,1-dimethylethyl)is used in the production of pharmaceuticals. Its chemical properties make it a valuable component in the synthesis of various drugs, contributing to the development of new medications and therapies.
Used in Agrochemicals Production:
1H-Indene, 1-(1,1-dimethylethyl)is also used as a raw material in the production of agrochemicals. Its role in the synthesis of agrochemicals helps in the development of products that are essential for agriculture, such as pesticides and fertilizers.
Check Digit Verification of cas no
The CAS Registry Mumber 40650-31-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,0,6,5 and 0 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 40650-31:
(7*4)+(6*0)+(5*6)+(4*5)+(3*0)+(2*3)+(1*1)=85
85 % 10 = 5
So 40650-31-5 is a valid CAS Registry Number.
40650-31-5Relevant articles and documents
Understanding Precatalyst Activation in Cross-Coupling Reactions: Alcohol Facilitated Reduction from Pd(II) to Pd(0) in Precatalysts of the Type (η3-allyl)Pd(L)(Cl) and (η3-indenyl)Pd(L)(Cl)
Melvin, Patrick R.,Balcells, David,Hazari, Nilay,Nova, Ainara
, p. 5596 - 5606 (2015/09/15)
Complexes of the type (η3-allyl)Pd(L)(Cl) (L = PR3 or NHC), have been used extensively as precatalysts for cross-coupling and related reactions, with systems containing substituents in the 1-position of the η3-allyl ligand, such as (η3-cinnamyl)Pd(L)(Cl), giving the highest activity. Recently, we reported a new precatalyst scaffold based on an η3-indenyl ligand, (η3-indenyl)Pd(L)(Cl), which typically provides higher activity than even η3-cinnamyl supported systems. In particular, precatalysts of the type (η3-1-tBu-indenyl)Pd(L)(Cl) give the highest activity. In cross-coupling reactions using this type of Pd(II) precatalyst, it is proposed that the active species is monoligated Pd(0), and the rate of reduction to Pd(0) is crucial. Here, we describe detailed experimental and computational studies which explore the pathway by which the Pd(II) complexes (η3-allyl)Pd(IPr)(Cl) (IPr = 1,3-bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene), (η3-cinnamyl)Pd(IPr)(Cl), (η3-indenyl)Pd(IPr)(Cl) and (η3-1-tBu-indenyl)Pd(IPr)(Cl) are reduced to Pd(0) in alcoholic solvents, which are commonly used in Suzuki-Miyaura and α-arylation reactions. The rates of reduction for the different precatalysts are compared and we observe significant variability based on the exact reaction conditions. However, in general, η3-indenyl systems are reduced faster than η3-allyl systems, and DFT calculations show that this is in part due to the ability of the indenyl ligand to undergo facile ring slippage. Our results are consistent with the η3-indenyl systems giving increased catalytic activity and provide fundamental information about how to design systems that will rapidly generate monoligated Pd(0) in the presence of alcohols.
