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2-Cyclohexyloxy-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane, a boronic ester with the molecular formula C12H25BO3, is a chemical compound featuring a cyclic hexyloxy group and four methyl groups attached to the boron atom. It is a versatile and important reagent in the field of organic chemistry, known for its role in the formation of carbon-carbon and carbon-heteroatom bonds.

96649-78-4

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96649-78-4 Usage

Uses

Used in Organic Synthesis:
2-Cyclohexyloxy-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane is used as a reagent in organic synthesis for the formation of carbon-carbon and carbon-heteroatom bonds. It facilitates these bond formations through Suzuki-Miyaura cross-coupling reactions, a widely used method in the synthesis of complex organic molecules.
Used in Pharmaceutical Development:
In the pharmaceutical industry, 2-Cyclohexyloxy-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane is utilized as a key intermediate in the synthesis of various drug molecules. Its ability to form stable boron-containing compounds makes it a valuable asset in the development of new pharmaceuticals with unique properties and therapeutic applications.
Used in Agrochemicals:
2-Cyclohexyloxy-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane is also employed in the agrochemical sector as a precursor for the synthesis of agrochemicals. Its reactivity and stability contribute to the creation of effective compounds for crop protection and pest control.
Used in Materials Science:
In the field of materials science, 2-Cyclohexyloxy-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane is used as a component in the synthesis of advanced materials with specific properties. Its incorporation into these materials can enhance their performance in various applications, such as electronics, coatings, and adhesives.

Check Digit Verification of cas no

The CAS Registry Mumber 96649-78-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,6,6,4 and 9 respectively; the second part has 2 digits, 7 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 96649-78:
(7*9)+(6*6)+(5*6)+(4*4)+(3*9)+(2*7)+(1*8)=194
194 % 10 = 4
So 96649-78-4 is a valid CAS Registry Number.

96649-78-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-cyclohexyloxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

1.2 Other means of identification

Product number -
Other names Cyclohexyl-<1.1.2.2-tetramethyl-ethylen>-borat

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:96649-78-4 SDS

96649-78-4Relevant academic research and scientific papers

Hydroboration of nitriles, esters, and amides catalyzed by simple neosilyllithium

Bandyopadhyay, Ayan,Bhattacharjee, Jayeeta,Kumar Singh, Saurabh,Kumari, Kusum,Moorthy, Shruti,Panda, Tarun K.,Sai Kumar, Gobbilla

supporting information, (2022/03/31)

We present here an efficient method for the hydroboration of organic nitriles, carboxylic esters, and carboxamides with pinacolborane (HBpin) using an alkali metal catalyst, neosilyllithium (LiCH2SiMe3), in neat reaction conditions. The reactions were accomplished with efficient catalytic reactivity and demonstrated by neosilyllithium at room temperature, in solvent-free condition, to afford a high yield of the corresponding N-boryl amines, boryl ethers, and amine hydrochlorides. The protocol for the catalytic reaction presented in this paper is simple and efficient, with diverse substrate scope for nitriles, carboxylic esters, and carboxamides showing excellent functional group tolerance. DLPNO-CCSD(T) calculations were also performed, showing that the hydroboration of nitriles catalyzed by neosilyllithium occurs through the pre-coordination of the nitrile at Lewis acid lithium followed by hydride migration from the B–H entity.

N-Heterocyclic Carbene-Phosphinidenide Complexes as Hydroboration Catalysts

Bhattacharjee, Jayeeta,Bockfeld, Dirk,Tamm, Matthias

supporting information, p. 1098 - 1109 (2022/01/27)

The reactions of the N-heterocyclic carbene-phosphinidene adducts (NHC)PSiMe3 and (NHC)PH with the dinuclear ruthenium and osmium complexes [(η6-p-cymene)MCl2]2 (M = Ru, Os) afforded the half-sandwich complexes

Hydroboration of Nitriles, Esters, and Carbonates Catalyzed by Simple Earth-Abundant Metal Triflate Salts

Thenarukandiyil, Ranjeesh,Satheesh, Vanaparthi,Shimon, Linda J. W.,de Ruiter, Graham

, p. 999 - 1006 (2021/03/30)

During the past decade earth-abundant metals have become increasingly important in homogeneous catalysis. One of the reactions in which earth-abundant metals have found important applications is the hydroboration of unsaturated C?C and C?X bonds (X=O or N). Within these set of transformations, the hydroboration of challenging substrates such as nitriles, carbonates and esters still remain difficult and often relies on elaborate ligand designs and highly reactive catalysts (e. g., metal alkyls/hydrides). Here we report an effective methodology for the hydroboration of challenging C≡N and C=O bonds that is simple and applicable to a wide set of substrates. The methodology is based on using a manganese(II) triflate salt that, in combination with commercially available potassium tert-butoxide and pinacolborane, catalyzes the hydroboration of nitriles, carbonates, and esters at room temperature and with near quantitative yields in less than three hours. Additional studies demonstrated that other earth-abundant metal triflate salts can facilitate this reaction as well, which is further discussed in this report.

La(CH2C6H4NMe2-o)3-catalyzed reduction of esters to alcohols with pinacolborane

Zhang, Fangcao,Gong, Mingliang,Xie, Hongzhen,Luo, Yunjie

supporting information, p. 17654 - 17659 (2021/10/04)

Catalytic reduction of esters is a favourable synthetic strategy to obtain the corresponding alcohols. La(CH2C6H4NMe2-o)3, a simple and facilely accessible lanthanide complex, can serve as a highly efficient catalyst for the reduction of esters with pinacolborane (HBpin), selectively affording alcohols in good yields under mild conditions. This protocol exhibits good tolerance for many functional groups such as C-C double bond, nitro, halogen, furyl, and thienyl groups. A lanthanum hydride species like [La]-H·HBpin is supposed to play a crucial role in promoting the interaction of esters with HBpin.

Progressing the Frustrated Lewis Pair Abilities of N-Heterocyclic Carbene/GaR3Combinations for Catalytic Hydroboration of Aldehydes and Ketones

Bole, Leonie J.,Uzelac, Marina,Hernán-Gómez, Alberto,Kennedy, Alan R.,O'Hara, Charles T.,Hevia, Eva

supporting information, p. 13784 - 13796 (2021/07/26)

Exploiting the steric incompatibility of the tris(alkyl)gallium GaR3 (R = CH2SiMe3) and the bulky N-heterocyclic carbene (NHC) 1,3-bis(tert-butyl)imidazol-2-ylidene (ItBu), here we report the B-H bond activation of pinacolborane (HBPin), which has led to

Hydroboration of aldehydes, ketones and CO2under mild conditions mediated by iron(iii) salen complexes

James, Alexander P.,Lau, Samantha,Provis-Evans, Cei B.,Webster, Ruth L.

supporting information, p. 10696 - 10700 (2021/08/17)

The hydroboration of aldehydes, ketones and CO2is demonstrated using a cheap and air stable [Fe(salen)]2-μ-oxo pre-catalyst with pinacolborane (HBpin) as the reductant under mild conditions. This catalyst system chemoselectively hydroborates aldehydes over ketones and ketones over alkenes. In addition, the [Fe(salen)2]-μ-oxo pre-catalyst shows good efficacy at reducing “wet” CO2with HBpin at room temperature.

CeO2-nanocubes as efficient and selective catalysts for the hydroboration of carbonyl groups

Bhawar, Ramesh,Bose, Shubhankar Kumar,Patil, Kiran S.

supporting information, p. 15028 - 15034 (2021/09/04)

The CeO2-nanoparticle catalysed hydroboration of carbonyl compounds with HBpin (pin = OCMe2CMe2O) is reported to afford the corresponding borate esters in excellent yield. A series of aromatic and aliphatic aldehydes and ketones having synthetically important functional groups were well-Tolerated under mild reaction conditions. Further, chemoselective hydroboration of aldehydes over other reducible functional groups such as ketone, nitrile, hydroxide, alkene, alkyne, amide, ester, nitro, and halides was achieved. Importantly the catalyst can be recycled up to ten runs with slight loss in activity. This journal is

Nucleophilic Addition and α-C-H Substitution Reactions of an Imine Mediated by Dibutylmagnesium and Organolithium Reagents

Dang, Yan,Jia, Chaohong,Li, Yafei,Li, Yahong,Lu, Yanhua,Wang, Yalan,Xia, Yuanzhi,Xu, Man,Zhang, Liang

, (2021/07/17)

A series of nucleophilic addition reactions and α-C-H substitution reactions of an imine-containing ligand 2-(2-((((1H-pyrrol-2-yl)methylene)amino)methyl)-1H-pyrrol-1-yl)-N,N-dimethylethan-1-amine (HL1) were reported. The reactions of HL1 with 0.5 and 2 equiv ofnBu2Mg, respectively, gave two complexes of compositions [Mg(L1)2] (1) and [Mg2(L2)2] (2) (H2L2 =N-((1-(2-(dimethylamino)ethyl)-1H-pyrrol-2-yl)methyl)-1-(1H-pyrrol-2-yl)pentan-1-amine). The nucleophilic addition ofnBu2Mg to the C═N bond of the HL1 ligand occurred in the process for the formation of2. Treatment of HL1 with 2 and 1 equiv ofnBuLi generated [Li2(L3)2] (3) (HL3 = 2-(2-(((1-(1H-pyrrol-2-yl)pentylidene)amino)methyl)-1H-pyrrol-1-yl)-N,N-dimethylethan-1-amine) and [Li2(L1)2] (4). An α-C-H substitution of the HC═NR moiety of the HL1 ligand triggered bynBuLi was discovered in the preparation of3. The formation of3demonstrates a new concept for the C-C coupling that involved inert C-H bond activation of HC═NR skeleton. The reactions of HL1 with MeLi,sec-BuLi, and tert-BuLi, respectively, were also examined. The products for both the nucleophilic addition of organolithium reagents to the C═N bond and α-C-H substitution of the HC═NR moiety of the HL1 ligand were determined. The mechanisms for the formations of2and3were rationalized by DFT calculations. The hydroboration reactions catalyzed by2were investigated, and these reactions characterize ample substrate scope, very good yields, and high selectivity.

[(Me6TREN)MgOCHPh2][B(C6F5)4]: A Model Complex to Explore the Catalytic Activity of Magnesium Alkoxides in Ketone Hydroboration

Ankur,Kannan, Ramkumar,Chambenahalli, Raju,Banerjee, Sumanta,Yang, Yan,Maron, Laurent,Venugopal, Ajay

supporting information, p. 4632 - 4638 (2021/09/30)

The sterically hindered monomeric alkoxomagnesium compound [(Me6TREN)MgOCHPh2][B(C6F5)4] (1) has been used to explore the role of magnesium alkoxides in ketone hydroboration. Experiments and DFT calcu

Hydroboration of carbonyls and imines by an iminophosphonamido tin(ii) precatalyst

Nakaya, Kazuki,Takahashi, Shintaro,Ishii, Akihiko,Boonpalit, Kajjana,Surawatanawong, Panida,Nakata, Norio

supporting information, p. 14810 - 14819 (2021/11/03)

A novel three-coordinated tin(ii) chloride [Ph2P(NtBu)2]SnCl (1) supported by an N,N′-di-tert-butyliminophosphonamide having two phenyl groups on the phosphorus atom was synthesized by the reaction of the starting lithium iminophosphonamide [Ph2P(NtBu)2]L

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