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1,3,2-Dioxaborinane, 5,5-dimethyl-2-(3-thienyl)- is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

905966-46-3

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905966-46-3 Usage

Structure

Boronic acid derivative with a dioxaborinane ring and a thienyl group

Organic synthesis

Used as a reagent for cross-coupling reactions

Suzuki-Miyaura coupling

Particularly effective in this type of reaction

Pharmaceutical synthesis

Utilized in the synthesis of various pharmaceuticals

Agrochemical synthesis

Employed in the production of agrochemicals

Materials science

Studied for potential applications in organic electronic materials and sensors

Functional groups

Boronic acid, dioxaborinane ring, and thienyl group

Reactivity

Active in cross-coupling reactions

Stability

Relatively stable under appropriate conditions

Solubility

Soluble in organic solvents, such as tetrahydrofuran (THF) or dimethyl sulfoxide (DMSO)

Appearance

Typically a solid or viscous liquid

Color

May vary depending on the specific compound and purity

Odor

May have a characteristic odor, but this can vary

Toxicity

Potentially toxic, depending on the specific compound and its concentration

Hazards

May be flammable or corrosive, depending on the compound

Storage

Should be stored in a cool, dry, and well-ventilated area, away from incompatible substances

Disposal

Follow proper waste disposal procedures and regulations for chemical compounds

Regulatory information

May be subject to specific regulations and guidelines depending on the region and intended use (e.g., REACH, TSCA)

Check Digit Verification of cas no

The CAS Registry Mumber 905966-46-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,0,5,9,6 and 6 respectively; the second part has 2 digits, 4 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 905966-46:
(8*9)+(7*0)+(6*5)+(5*9)+(4*6)+(3*6)+(2*4)+(1*6)=203
203 % 10 = 3
So 905966-46-3 is a valid CAS Registry Number.

905966-46-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,3,2-Dioxaborinane, 5,5-dimethyl-2-(3-thienyl)-

1.2 Other means of identification

Product number -
Other names 5,5-Dimethyl-2-(3-thienyl)-1,3,2-dioxaborinane

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:905966-46-3 SDS

905966-46-3Relevant academic research and scientific papers

Ruthenium-Catalyzed C-H Arylation and Alkenylation of Furfural Imines with Boronates

Siopa, Filipa,Ramis Cladera, Valérie-Anne,Afonso, Carlos Alberto Mateus,Oble, Julie,Poli, Giovanni

supporting information, p. 6101 - 6106 (2018/09/18)

A Ru0-catalyzed direct C-H arylation and alkenylation of furfural imines with aryl- or alkenyl-boronates, in the presence of benzylideneacetone as a sacrificial hydride acceptor, is disclosed. This reaction provides access, after hydrolysis, to C3-arylated or vinylated furfural derivatives, and thus valorizes these relevant building-blocks obtained from lignocellulosic biomass. This approach, involving C-H activation by a Ru0/RuII, cycle offers several advantages, notably simple, mild and neutral reaction conditions.

Rhodium-Catalyzed Arylative Transformations of Propargylic Diols: Dual Role of the Rhodium Catalyst

Xing, Junhao,Zhu, Yong,Lin, Xiao,Liu, Na,Shen, Yue,Lu, Tao,Dou, Xiaowei

supporting information, p. 1595 - 1599 (2018/03/01)

Controllable synthesis of a variety of allenic alcohols and 2,5-dihydrofurans by rhodium(I)-catalyzed arylative transformations of propargylic diols is reported. The hydroxorhodium catalyst was found to play dual role: it catalyzed the arylation/dehydroxylation reaction of propargylic diols to afford allenic alcohols, and besides, it could convert to a cationic rhodium species in situ, which catalyzed the intramolecular hydroalkoxylation of allenic alcohols to form dihydrofurans. Remarkably, generation of the cationic rhodium species is dependent on the arylboron reagent used. Thus, the controllable synthesis is achieved by simply changing the arylboron reagent. (Figure presented.).

Selective Monoarylation of Aromatic Ketones and Esters via Cleavage of Aromatic Carbon-Heteroatom Bonds by Trialkylphosphine Ruthenium Catalysts

Kondo, Hikaru,Kochi, Takuya,Kakiuchi, Fumitoshi

supporting information, p. 794 - 797 (2017/03/01)

We report here the ruthenium-catalyzed selective monoarylation of aromatic ketones bearing two ortho carbon-heteroatom (O or N) bonds. Under the newly developed catalyst system consisting of RuHCl(CO)(PiPr3)2, CsF, and sty

The drastic effect of cobalt and chromium catalysts in the borylation of arylzinc reagents

Komeyama, Kimihiro,Kiguchi, Shinnosuke,Takaki, Ken

supporting information, p. 7009 - 7012 (2016/06/09)

A new synthetic approach to arylboronic esters from arylzinc reagents with boryl electrophiles MeOB(OR)2 has been developed. Furthermore, this protocol could be applied to the cyclization/borylation of alkynylaryl iodides to afford cyclized vinylboronic esters.

Beyond Directed ortho Metalation: Ruthenium-Catalyzed Amide-Directed CAr-OMe Activation/Cross-Coupling Reaction of Naphthamides with Aryl Boronates

Zhao, Yigang,Snieckus, Victor

supporting information, p. 4674 - 4677 (2015/10/12)

A new and general synthetic methodology for the construction of biaryl, heterobiaryl, and polyaryl molecules by the ruthenium-catalyzed cross-coupling of ortho-methoxy naphthamides with aryl boroneopentylates is described. The isomeric 1-MeO-2-naphthamides and 2-MeO-1-naphthamides furnish an expansive series of arylated naphthamides in excellent yields. Competition experiments showed the higher reactivity of 1-MeO-2-naphthamide over 2-MeO-benzamide. Orthogonality between the C-O activation/cross-coupling and the Suzuki-Miyaura reactions was established. The method provides naphthalenes which are difficult to prepare by directed ortho metalation.

C-H activation by amide chelation control: Ruthenium-catalyzed direct synthesis of 2-Aryl-3-furanamides

Zhao, Yigang,Snieckus, Victor

supporting information, p. 1527 - 1532 (2014/06/09)

A new, catalytic methodology for the synthesis of heterobiaryls by the ruthenium-catalyzed C-H activation/cross-coupling of heterocyclic amides with aryl boroneopentylates is surveyed. From this survey, the highly regioselective reaction of furan-3-carboxamide to give 2-aryl-3-furanamides is optimized and generalized in scope with respect to the aryl boroneopentylate coupling partners. Established thereby is a one-step synthetic method which may supercede the broadly applied two-step directed ortho metalation (DoM)-cross coupling reaction involving cryogenic and strong base conditions and which has potential for further ortho and remote metalation chemistry.

Beyond directed ortho metalation: Ruthenium-catalyzed amide-directed C Ar-N activation/C-C coupling reaction of anthranilamides with organoboronates

Zhao, Yigang,Snieckus, Victor

supporting information, p. 3200 - 3203 (2014/07/08)

A new, catalytic, and general methodology for the synthesis of biaryls and heterobiaryls by the cross coupling of anthranilamide derivatives (o-NMe 2 benzamides) with aryl boroneopentylates is described. The reaction proceeds under catalytic RuH2(CO)(PPh3)3 conditions driven by the activation of the unreactive C-N bond by amide directing group (DG)-Ru catalyst chelation. High regioselectivity, orthogonality with the Suzuki-Miyaura reaction, operational simplicity, and convenient scale-up are features of these reactions which may lend themselves to industrial applications.

Beyond directed ortho metalation: Ru-catalyzed CAr-O activation/cross-coupling reaction by amide chelation

Zhao, Yigang,Snieckus, Victor

supporting information, p. 11224 - 11227 (2014/09/29)

Disclosed is a new, catalytic, and general methodology for the chemical synthesis of biaryl, heterobiaryl, and polyaryl molecules by the cross-coupling of o-methoxybenzamides with aryl boroneopentylates. The reaction is based on the activation of the unreactive C-OMe bond by the proximate amide directing group using catalytic RuH2(CO)(PPh3)3 conditions. A one-step, base-free coupling process is thereby established that has the potential to supersede the useful two-step directed ortho metalation/cross- coupling reaction involving cryogenic temperature and strong base conditions. High regioselectivity, orthogonality with the Suzuki-Miyaura reaction, operational simplicity, minimum waste, and convenient scale-up make these reactions suitable for industrial applications.

Nickel-catalysed carboxylation of organoboronates

Makida, Yusuke,Marelli, Enrico,Slawin, Alexandra M. Z.,Nolan, Steven P.

supporting information, p. 8010 - 8013 (2014/07/08)

A nickel/N-heterocyclic carbene (NHC) catalysed carboxylation of aryl-, heteroaryl- and alkenylboronates, affording the corresponding carboxylic acids, has been developed. This transformation proceeds under one atmosphere of CO 2 with a broad range of substrates and exhibits good functional group compatibility. the Partner Organisations 2014.

Nickel-catalyzed borylation of halides and pseudohalides with tetrahydroxydiboron [B2(OH)4]

Molander, Gary A.,Cavalcanti, Livia N.,Garcia-Garcia, Carolina

, p. 6427 - 6439 (2013/07/26)

Arylboronic acids are gaining increased importance as reagents and target structures in a variety of useful applications. Recently, the palladium-catalyzed synthesis of arylboronic acids employing the atom-economical tetrahydroxydiboron (BBA) reagent has been reported. The high cost associated with palladium, combined with several limitations of both palladium- and copper-catalyzed processes, prompted us to develop an alternative method. Thus, the nickel-catalyzed borylation of aryl and heteroaryl halides and pseudohalides using tetrahydroxydiboron (BBA) has been formulated. The reaction proved to be widely functional group tolerant and applicable to a number of heterocyclic systems. To the best of our knowledge, the examples presented here represent the only effective Ni-catalyzed Miyaura borylations conducted at room temperature.

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