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1-(4-Chlorophenyl)-2-nitroethane, a nitrostyrene derivative, is a chemical compound with the molecular formula C8H8ClNO2. It is a yellow crystalline solid with a molecular weight of 183.61 g/mol. 1-(4-CHLOROPHENYL)-2-NITROETHANE is often utilized in the synthesis of various pharmaceuticals and organic compounds, making it a valuable intermediate in the production of other chemicals.

60947-43-5

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60947-43-5 Usage

Uses

Used in Pharmaceutical Industry:
1-(4-Chlorophenyl)-2-nitroethane is used as a chemical intermediate for the synthesis of various pharmaceuticals. Its unique structure allows it to be a key component in the development of new drugs and medications, contributing to the advancement of medical treatments.
Used in Agrochemical Industry:
In the agrochemical industry, 1-(4-Chlorophenyl)-2-nitroethane is used as a starting material for the production of various agrochemicals. Its application in this field aids in the development of pesticides, herbicides, and other agricultural chemicals that are essential for maintaining crop health and productivity.

Check Digit Verification of cas no

The CAS Registry Mumber 60947-43-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,0,9,4 and 7 respectively; the second part has 2 digits, 4 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 60947-43:
(7*6)+(6*0)+(5*9)+(4*4)+(3*7)+(2*4)+(1*3)=135
135 % 10 = 5
So 60947-43-5 is a valid CAS Registry Number.

60947-43-5SDS

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 1-Chloro-4-(2-nitroethyl)benzene

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

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

More Details:60947-43-5 SDS

60947-43-5Relevant academic research and scientific papers

Iridium-catalyzed highly chemoselective and efficient reduction of nitroalkenes to nitroalkanes in water

Chen, Yang,Liu, Changmeng,Xu, Dong,Xu, Jiaxi,Yang, Zhanhui

supporting information, p. 6050 - 6058 (2021/08/23)

An iridium-catalyzed highly chemoselective and efficient transfer hydrogenation reduction of structurally diverse nitroalkenes was realized at very low catalyst loading (S/C = up to 10000 or 20?000), using formic acid or sodium formate as a traceless hydride donor in water. Excellent functionality tolerance is also observed. The turnover number and turnover frequency of the catalyst reach as high as 18?600 and 19?200 h-1, respectively. An inert atmosphere protection is not required. The reactivities of nitroalkenes are dependent on their substitution pattern, and the pH value is a key factor to accomplish the complete conversion and excellent chemoselectivity. Purification of products is achieved by simple extraction without column chromatography. The reduction procedure is facilely amplified to 10 g scale at 10?000 S/C ratio. The potential of this green reduction in enantioselective hydrogenation has been demonstrated.

Nitroalkene reduction in deep eutectic solvents promoted by BH3NH3

Benaglia, Maurizio,Boselli, Monica Fiorenza,Faverio, Chiara,Gonzalez, Patricia Camarero,Puglisi, Alessandra

supporting information, p. 1041 - 1047 (2021/05/17)

Deep eutectic solvents (DESs) have gained attention as green and safe as well as economically and environmentally sustainable alternative to the traditional organic solvents. Here, we report the combination of an atom-economic, very convenient and inexpensive reagent, such as BH3NH3, with bio-based eutectic mixtures as biorenewable solvents in the synthesis of nitroalkanes, valuable precursors of amines. A variety of nitrostyrenes and alkyl-substituted nitroalkenes, including α- and β-substituted nitroolefins, were chemoselectively reduced to the nitroalkanes, with an atom economy-oriented, simple and convenient experimental procedure. A reliable and easily reproducible protocol to isolate the product without the use of any organic solvent was established, and the recyclability of the DES mixture was successfully investigated.

Metal-Free Deoxygenation of Chiral Nitroalkanes: An Easy Entry to α-Substituted Enantiomerically Enriched Nitriles

Pirola, Margherita,Faverio, Chiara,Orlandi, Manuel,Benaglia, Maurizio

supporting information, p. 10247 - 10250 (2021/06/18)

A metal-free, mild and chemodivergent transformation involving nitroalkanes has been developed. Under optimized reaction conditions, in the presence of trichlorosilane and a tertiary amine, aliphatic nitroalkanes were selectively converted into amines or nitriles. Furthermore, when chiral β-substituted nitro compounds were reacted, the stereochemical integrity of the stereocenter was maintained and α-functionalized nitriles were obtained with no loss of enantiomeric excess. The methodology was successfully applied to the synthesis of chiral β-cyano esters, α-aryl alkylnitriles, and TBS-protected cyanohydrins, including direct precursors of four active pharmaceutical ingredients (ibuprofen, tembamide, aegeline and denopamine).

Synthesis, antiproliferative and pro-apoptotic effects of nitrostyrenes and related compounds in Burkitt’s lymphoma

Byrne, Andrew J.,Bright, Sandra A.,Fayne, Darren,McKeown, James P.,McCabe, Thomas,Twamley, Brendan,Williams, Clive,Meegan, Mary J.

, p. 181 - 199 (2018/03/13)

Background: Cancers of the lymphatic cells (lymphomas) account for approximately 12% of malignant diseases worldwide. The nitrostyrene scaffold is identified as a lead target structure for the development of particularly effective compounds targeting Burkitt’s lymphoma (BL). Objectives: The aims of the curent study were to synthesise a panel of nitrostyrene compounds and to evaluate their activity in Burkitt’s lymphoma (BL). Methods: A panel of structurally varied compounds were designed and synthesised using Henry Knoevenagel condensation reactions. Single crystal X-Ray analysis confirmed the E configuration for six examples of these novel structures. A number of nitrostyrene-related compounds were also investigated including 1,3-bis(aryl)-2-nitropropenes together with heterocyclic scaffolds containing the nitrovinyl pharmacophore such as 3-nitro-2-phenyl-2H-chromenes. The antiproliferative activities of the compounds were evaluated using the BL cell lines EBV- MUTU-1 and EBV+ DG-75 (chemoresistant) to establish preliminary structure-activity relationships. Results: Lead compounds with optimized nitrostyrene scaffolds and 3-nitro-2-phenyl-2Hchromene structures were successfully established with typical IC50 values of 0.45 μM and 0.47 μM in MUTU-1 cells and 1.41 μM and 1.92 μM, respectively, in DG-75 cells. The mechanism of cell death was identified as apoptotic and the lead compound was found to elicit comparable apoptotic effects to Taxol in Burkitt’s lymphoma cell lines MUTU-1 and DG-75. Conclusion: This class of pharmaceutically active compounds with potential for the treatment of Burkitt’s lymphoma suggest a potential role for nitrostyrene based agents in chemotherapy.

Nano-NiFe2O4 as an efficient catalyst for regio- and chemoselective transfer hydrogenation of olefins/alkynes and dehydrogenation of alcohols under Pd-/Ru-free conditions

Payra, Soumen,Saha, Arijit,Banerjee, Subhash

, p. 52495 - 52499 (2016/06/13)

Here, we have demonstrated the magnetic nano-NiFe2O4 catalyzed transfer hydrogenation of olefins/alkynes using isopropyl alcohol as a source of hydrogen under ligand/base/Pd-/Ru-metal-free conditions, and dehydrogenation of alcohols under oxidant-free conditions.

Construction of chiral 2-substituted octahydroindoles from cyclic ketones and nitroolefins bearing only one α-substituent

Han, Yong,Zheng, Bo,Peng, Yungui

supporting information, p. 1136 - 1142 (2015/04/22)

A dual catalytic system has been developed following the screening of a series of chiral primary amine catalysts and chiral phosphoric acid catalysts for the Michael addition of cyclic ketones to nitroolefins bearing only one α-substituent. The resulting γ-nitro ketones, which contain a substituent on the carbon connected to the nitro group, were formed in excellent yields (>80%) with high levels of stereoselectivity (up to 94:6 dr and 98% ee) when the reaction was performed in benzene at 0 °C with 10 mol% of the optimal amine/phosphoric acid combination (1:1) as a catalyst. Subsequent reduction of the nitro group followed by intramolecular reductive amination could afford optically active cis-octahydroindole analogues bearing a non-functional substituent at their 2-position.

Catalyst-free chemoselective reduction of the carbon-carbon double bond in conjugated alkenes with Hantzsch esters in water

He, Qi,Xu, Zhihong,Jiang, Dehong,Ai, Wensi,Shi, Ronghua,Qian, Shan,Wang, Zhouyu

, p. 8671 - 8674 (2014/03/21)

A simple, efficient and green protocol for chemoselective reduction of carbon-carbon double bond in conjugated alkenes with Hantzsch esters is described. Without any additional catalysts, a series of conjugated alkenes with strong electron-withdrawing groups were reduced in water with excellent yield. Functional groups such as nitrile, ester, nitro, fluoro, chloro, bromo, furanyl and benzyl are all tolerated by the reaction conditions employed. The Royal Society of Chemistry.

Useful extensions of the henry reaction: Expeditious routes to nitroalkanes and nitroalkenes in aqueous media

Chandrasekhar, Sosale,Shrinidhi, Annadka

, p. 3008 - 3018 (2014/10/16)

The products of the Henry nitroaldol reaction from nitromethane and several aldehydes were reduced to the corresponding nitroalkanes with (n-Bu) 3SnH in water under microwave irradiation (80 °C/10 min), or dehydrated to the corresponding nitroalkenes with K2CO3 in water (generally 0-5 °C/20 min). Both "one-pot" reactions occur in excellent yields across a range of aliphatic and aromatic (including heteroaromatic) substrates. It seems likely that the deoxygenation of the nitroaldols occurs via coordination of an oxygen atom of the nitro group with a tin atom, which facilitates hydride delivery in the transition state. The elimination of water from the nitroaldols in mild base is likely driven by the stability of the conjugated nitroalkene products. The elimination required workup with 2 N HCl, which likely displaces a nitroalkane-nitroalkene equilibrium towards the latter. These extensions of the Henry reaction lead to products not easily obtained otherwise.

Functional-group tolerance in frustrated lewis pairs: hydrogenation of nitroolefins and acrylates

Greb, Lutz,Daniliuc, Constantin-Gabriel,Bergander, Klaus,Paradies, Jan

supporting information, p. 5876 - 5879 (2013/07/05)

Weak Lewis acid for high nucleophilicity: Hydridoborate derived from B(2,6-F2C6H3)3 shows significant hydride character. Solid-state and solution structure analysis revealed a dihydrogen-bonded aggregate. The new frustrated Lewis pair was applied in the hydrogenation of nitroolefins and acrylates (see scheme; EWG=electron- withdrawing group). The decreased Lewis acidity provides higher reactivity and functional-group tolerance. Copyright

The highly chemoselective transfer hydrogenation of the carbon-carbon double bond of conjugated nitroalkenes by a rhodium complex

Xiang, Jing,Sun, Er-Xiao,Lian, Chun-Xia,Yuan, Wei-Cheng,Zhu, Jin,Wang, Qiwei,Deng, Jingen

experimental part, p. 4609 - 4620 (2012/07/28)

Chemoselective transfer hydrogenation of conjugated nitroalkenes catalyzed by [RhCl2Cp·]2-diamine complex (Cp ·=η5-C5Me5) using HCOOH/Et3N (5:2) (TEAF) as a hydrogen source was realized. A variety of nitrostyrenes, β-methyl nitrostyrenes, and 3-methyl-4-nitro-5-alkenyl- isoxazoles were reduced smoothly in good to excellent yields in short reaction time. Other functional groups are inert under the reaction conditions.

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