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4-tert-butyl-1-[(2,2-dichlorocyclopropyl)methyl]-2-nitrobenzene is a complex organic compound with the molecular formula C14H16Cl2NO2. It is characterized by a 2-nitrobenzene core, which is substituted with a tert-butyl group at the 4-position and a 2,2-dichlorocyclopropylmethyl group at the 1-position. This molecule is known for its potential applications in chemical research and as an intermediate in the synthesis of various pharmaceuticals and agrochemicals. Due to its structural complexity and the presence of multiple functional groups, it exhibits unique chemical properties and reactivity. The compound's stability and potential environmental impact are also of interest, as the presence of chlorine atoms can raise concerns regarding its persistence and bioaccumulation in the environment.

5216-30-8

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5216-30-8 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5216-30-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,2,1 and 6 respectively; the second part has 2 digits, 3 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 5216-30:
(6*5)+(5*2)+(4*1)+(3*6)+(2*3)+(1*0)=68
68 % 10 = 8
So 5216-30-8 is a valid CAS Registry Number.

5216-30-8SDS

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 4-tert-butyl-1-[(2,2-dichlorocyclopropyl)methyl]-2-nitrobenzene

1.2 Other means of identification

Product number -
Other names -

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

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More Details:5216-30-8 SDS

5216-30-8Relevant academic research and scientific papers

Synthesis of Diarylethynes from Aryldiazonium Salts by Using Calcium Carbide as an Alkyne Source in a Deep Eutectic Solvent

Ma, Xiaolong,Li, Zheng

supporting information, p. 631 - 635 (2020/12/28)

An efficient method for the synthesis of diarylethynes from aryldiazonium salts by using calcium carbide as an alkyne source at room temperature in a deep eutectic solvent is described. The salient features of this protocol are an inexpensive and easy-to-handle alkyne source, a nonvolatile and recyclable solvent, mild conditions, and a simple workup procedure.

Rh(iii)-Catalyzed three-component cascade annulation to produce theN-oxopropyl chain of isoquinolone derivatives

He, Yuan,Liao, Xian-Zhang,Dong, Lin,Chen, Fen-Er

supporting information, p. 561 - 567 (2021/02/06)

Developing powerful methods to introduce versatile functional groups at theN-substituents of isoquinolone scaffolds is still a great challenge. Herein, we report a novel three-component cascade annulation reaction to efficiently construct theN-oxopropyl chain of isoquinolone derivativesviarhodium(iii)-catalyzed C-H activation/cyclization/nucleophilic attack, with oxazoles used both as the directing group and potential functionalized reagents.

Ruthenium(ii)-catalyzed intermolecular annulation of alkenyl sulfonamides with alkynes: Access to bicyclic sultams

Qian, Lei-Lei,Min, Xiang-Ting,Hu, Yan-Cheng,Shen, Bing-Xue,Yang, Sa-Na,Wan, Boshun,Chen, Qing-An

supporting information, p. 2614 - 2617 (2020/03/10)

A ruthenium-catalyzed allylic C(sp3)-H activation strategy has been employed to develop an intermolecular coupling of alkenyl sulfonamides with alkynes. This protocol features the diastereoselective construction of [3.3.0] and [4.3.0] bicyclic sultams in one step.

A novel approach for rhodium(iii)-catalyzed C-H functionalization of 2,2′-bipyridine derivatives with alkynes: A significant substituent effect

Wu, Shaonan,Wang, Zhuo,Bao, Yinwei,Chen, Chen,Liu, Kun,Zhu, Bolin

supporting information, p. 4408 - 4411 (2020/05/05)

We described a novel approach for the C-H functionalization of 2,2′-bipyridine derivatives with alkynes. DFT calculations and experimental data showed a significant substituent effect at the 6-position of 2,2′-bipyridine, which weakened the adjacent N-Rh bond and provided the possibility of subsequent rollover cyclometalation, C-H activation, and functionalization.

Chemoselective Hydroboration of Propargylic Alcohols and Amines Using a Manganese(II) Catalyst

Brzozowska, Aleksandra,Zubar, Viktoriia,Ganardi, Ruth-Christine,Rueping, Magnus

supporting information, p. 3765 - 3769 (2020/04/15)

The first manganese-catalyzed hydroboration of propargylic alcohols and amines as well as internal alkynes is reported. High regio- and stereoselectivity is achieved by applying 2 mol % of a manganese precatalyst based on the readily accessible bis(imino)pyridine ligand and MnCl2 as metal source. Propargylic alcohols and amines, as well as symmetric internal alkynes, were efficiently converted into the corresponding functionalized alkenes, which can serve as important and valuable intermediates for further synthetic applications such as cross-coupling reactions.

Pd-Catalyzed Alkyne Insertion/C-H Activation/[4 + 2] Carboannulation of Alkenes to the Synthesis of Polycyclics

Guo, Songjin,Li, Panpan,Guan, Zhe,Cai, Libo,Chen, Siwei,Lin, Aijun,Yao, Hequan

supporting information, p. 921 - 925 (2019/05/16)

An unprecedented Pd-catalyzed alkyne insertion/C-H activation/intramolecular [4 + 2] carboannulation of alkenes has been reported. In this transformation, the C-H activation was triggered by an in situ generated alkenylpalladium species via the Pd-catalyzed cross-coupling reaction of aryl iodides and alkynes. Subsequently, the resulting five-membered C, C-palladacycle intermediates were added across the alkenes, providing a unique approach to access diversified polycyclics in good efficiency. Two new rings and three C-C bonds were formed in one pot.

Rhodium(iii)-catalyzed unreactive C(sp3)-H alkenylation of N-alkyl-1H-pyrazoles with alkynes

Li, Tongyu,Liu, Chang,Wu, Shaonan,Chen, Chen C.,Zhu, Bolin

supporting information, p. 7679 - 7683 (2019/08/30)

The first example of pyrazole-directed rhodium(iii)-catalyzed unreactive C(sp3)-H alkenylation with alkynes has been described, which showed a relatively broad substrate scope with good functional group compatibility. Moreover, we demonstrated that the transitive coordinating center pyrazole could be easily removed under mild conditions.

Electrochemistry-Enabled Ir-Catalyzed Vinylic C-H Functionalization

Yang, Qi-Liang,Xing, Yi-Kang,Wang, Xiang-Yang,Ma, Hong-Xing,Weng, Xin-Jun,Yang, Xiang,Guo, Hai-Ming,Mei, Tian-Sheng

supporting information, p. 18970 - 18976 (2019/12/04)

Synergistic use of electrochemistry and organometallic catalysis has emerged as a powerful tool for site-selective C-H functionalization, yet this type of transformation has thus far mainly been limited to arene C-H functionalization. Herein, we report the development of electrochemical vinylic C-H functionalization of acrylic acids with alkynes. In this reaction an iridium catalyst enables C-H/O-H functionalization for alkyne annulation, affording α-pyrones with good to excellent yields in an undivided cell. Preliminary mechanistic studies show that anodic oxidation is crucial for releasing the product and regeneration of an Ir(III) intermediate from a diene-Ir(I) complex, which is a coordinatively saturated, 18-electron complex. Importantly, common chemical oxidants such as Ag(I) or Cu(II) did not give significant amounts of the desired product in the absence of electrical current under otherwise identical conditions.

The Direct Conversion of α-Hydroxyketones to Alkynes

Ghiringhelli, Francesca,Nattmann, Lukas,Bognar, Sabine,Van Gemmeren, Manuel

, p. 983 - 993 (2019/01/24)

Alkynes are highly important functional groups in organic chemistry, both as part of target structures and as versatile synthetic intermediates. In this study, a protocol for the direct conversion of α-hydroxyketones to alkynes is reported. In combination with the variety of synthetic methods that generate the required starting materials by forming the central C-C bond, it enables a highly versatile fragment coupling approach toward alkynes. A broad scope for this novel transformation is shown alongside mechanistic insights. Furthermore, the utility of our protocol is demonstrated through its application in concert with varied α-hydroxyketone syntheses, giving access to a broad spectrum of alkynes.

Preparation method of diaryl acetylene compounds

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Page/Page column 0076; 0077; 0078; 0082; 0113, (2018/05/16)

The invention relates to preparation of an organic compound, and aims to provide a preparation method of diaryl acetylene compounds. The preparation method includes steps of adding associated tribromomethylarene compound and copper in a reactor to perform deoxidizing treatment; dissolving polyamine in a proper amount of anhydrous and oxygen-free solvent, and then adding to the reactor; performingcoupling reaction at 30-80DEG C for 3-12 hours; separating and purifying to obtain diaryl acetylene compounds. The preparation is gentle in synthesis condition and the reaction has good compatibilityto different functional groups; the raw material associated tribromomethylarene compound is convenient to compound and has different substituent groups and variable structure; by adopting one raw material, high-quality product can be obtained through simple treatment, and the output is high; by adopting two different raw materials, the asymmetrical diaryl acetylene compound can be prepared.

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