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5-METHOXY-2-NITROBENZONITRILE is a specialized chemical compound with a molecular structure that includes methoxy, nitro, and benzonitrile groups. It is characterized by the presence of a functional group O-CH3 (methoxy), a nitro group consisting of two oxygen atoms and one nitrogen atom (-NO2), and a nitrile group (-C≡N) attached to a phenyl group. Its systematic name is 2-Nitro-5-methoxybenzonitrile, and it belongs to the class of organic compounds known as nitrobenzenes, which are compounds containing a benzene ring with a nitro group attached. Due to its potential for creating harmful effects if improperly handled, this chemical should be managed with adequate safety measures.

38469-84-0

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38469-84-0 Usage

Uses

Used in Organic Synthesis:
5-METHOXY-2-NITROBENZONITRILE is used as an important intermediate in the manufacturing of various chemical products. Its unique molecular structure makes it a valuable component in the synthesis of a wide range of organic compounds.
Used in Pharmaceutical Industry:
5-METHOXY-2-NITROBENZONITRILE is used as a key building block in the development of pharmaceutical compounds. Its versatile chemical properties allow it to be incorporated into the structures of various drugs, contributing to their therapeutic effects.
Used in Chemical Research:
5-METHOXY-2-NITROBENZONITRILE is used as a research tool in the field of chemistry, particularly in studies focused on the synthesis and properties of nitrobenzenes and related compounds. Its reactivity and structural characteristics make it an interesting subject for scientific investigation.
Used in Material Science:
5-METHOXY-2-NITROBENZONITRILE is used as a component in the development of new materials with specific properties, such as improved stability or enhanced reactivity. Its incorporation into material formulations can lead to the creation of innovative products with unique characteristics.
Used in Environmental Applications:
5-METHOXY-2-NITROBENZONITRILE is used in the design of environmental remediation strategies, where its chemical properties can be harnessed to address specific pollution challenges or to facilitate the degradation of harmful substances. Its potential applications in this field are still being explored and developed.

Check Digit Verification of cas no

The CAS Registry Mumber 38469-84-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,8,4,6 and 9 respectively; the second part has 2 digits, 8 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 38469-84:
(7*3)+(6*8)+(5*4)+(4*6)+(3*9)+(2*8)+(1*4)=160
160 % 10 = 0
So 38469-84-0 is a valid CAS Registry Number.
InChI:InChI=1/C8H6N2O3/c1-13-7-2-3-8(10(11)12)6(4-7)5-9/h2-4H,1H3

38469-84-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-Methoxy-2-nitrobenzonitrile

1.2 Other means of identification

Product number -
Other names 5-Methoxy-2-Nitrobenzonitrile

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:38469-84-0 SDS

38469-84-0Relevant academic research and scientific papers

Copper-Catalyzed One-Pot Synthesis of Quinazolinones from 2-Nitrobenzaldehydes with Aldehydes: Application toward the Synthesis of Natural Products

Pal, Shantanu,Sahoo, Subrata

, p. 18067 - 18080 (2021/12/06)

A novel, efficient, and atom-economical approach for the construction of quinazolinones from 2-nitrobenzaldehydes has been unveiled via copper-catalyzed nitrile formation, hydrolysis, and reduction in one pot for the first time. In this reaction, urea is used as a source of nitrogen for nitrile formation, hydrazine hydrate is used for both the reduction of the nitro group and the hydrolysis of nitrile, and atmospheric oxygen is used as the sole oxidant. The method portrays a wide substrate scope with good functional group tolerances. Moreover, this method was applied for the synthesis of schizocommunin, tryptanthrin, phaitanthrin-A, phaitanthrin-B, and 8H-quinazolino[4,3-b]quinazolin-8-one.

Conversions of aryl carboxylic acids into aryl nitriles using multiple types of Cu-mediated decarboxylative cyanation under aerobic conditions

Cai, Hu,Cao, Xihan,Fu, Zhengjiang,Guo, Shengmei,Wang, Shuiliang

supporting information, p. 8381 - 8385 (2020/11/05)

Here, we used malononitrile or AMBN as a cyanating agent to develop efficient and practical protocols for Cu-mediated decarboxylative cyanations, under aerobic conditions, of aryl carboxylic acids bearing nitro and methoxyl substituents at the ortho position as well as of heteroaromatic carboxylic acids. These protocols involved economical methods to synthesize value-added aryl nitriles from simple and inexpensive raw materials. Further diversification of the 2-nitrobenzonitrile product was performed to highlight the practicality of the protocols. This journal is

Method for synthesizing aryl cyanide by taking aryl carboxylic acid as raw material

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Paragraph 0080-0082, (2020/08/22)

The invention discloses a method for synthesizing aryl cyanide by taking aryl carboxylic acid as a raw material, which is characterized in that aryl cyanide is synthesized by taking aryl carboxylic acid as a raw material, taking a combination of NH4X and N, N-dimethylformamide as a cyanide source and taking silver sulfate and copper acetate as catalysts under the action of acid and oxygen. Compared with a conventional aryl cyanide synthesis method, the method disclosed by the invention has the advantages that reaction raw materials (aryl carboxylic acid, NH4X and N, N-dimethylformamide) are cheap and easy to obtain, and the dosage of a metal catalyst is small; meanwhile, oxygen is used as an oxidizing agent, so that the method has the obvious advantages of small environmental pollution, good tolerance to various functional groups on an aromatic ring, high yield and the like; the method disclosed by the invention can be widely applied to synthesis of medicines, functional materials, natural products and other fields in the industry and academic circles.

Ag/Cu-mediated decarboxylative cyanation of aryl carboxylic acids with K4Fe(CN)6 under aerobic conditions

Fu, Zhengjiang,Jiang, Ligao,Li, Zhaojie,Jiang, Yongqing,Cai, Hu

supporting information, p. 917 - 924 (2019/03/17)

A method for facile synthesis of aryl nitriles has been well established via Ag/Cu-mediated decarboxylative cyanation of benzoic acids with K4Fe(CN)6 under aerobic conditions. The approach of using readily accessible aryl carboxylic acids and green K4Fe(CN)6 as starting material provides a feasible alternative to previous cyanation protocols. Control experiments revealed the key role of Cu for the process and excluded the possibility of a radical mechanism for the transformation.

Decarboxylative Halogenation and Cyanation of Electron-Deficient Aryl Carboxylic Acids via Cu Mediator as Well as Electron-Rich Ones through Pd Catalyst under Aerobic Conditions

Fu, Zhengjiang,Li, Zhaojie,Song, Yuanyuan,Yang, Ruchun,Liu, Yanzhu,Cai, Hu

, p. 2794 - 2803 (2016/04/26)

Simple strategies for decarboxylative functionalizations of electron-deficient benzoic acids via using Cu(I) as promoter and electron-rich ones by employing Pd(II) as catalyst under aerobic conditions have been established, which lead to smooth synthesis of aryl halides (-I, Br, and Cl) through the decarboxylative functionalization of benzoic acids with readily available halogen sources CuX (X = I, Br, Cl), and easy preparation of benzonitriles from decarboxylative cyanation of aryl carboxylic acids with nontoxic and low-cost K4Fe(CN)6 under an oxygen atmosphere for the first time.

HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE

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Page/Page column 143, (2011/10/05)

The present invention relates to compounds and methods which may be useful as inhibitors of H1R and/or H4R for the treatment or prevention of inflammatory, autoimmune, allergic, and ocular diseases.

HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE

-

Page/Page column 59, (2010/06/11)

The present invention relates to compounds and methods which may be useful as inhibitors of H1R and/or H4R for the treatment or prevention of inflammatory, autoimmune, allergic, and ocular diseases.

SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS

-

Page/Page column 185-186, (2009/03/07)

Compounds of Formula (I) or pharmaceutically acceptable salts, solvates, or esters thereof, are useful in treating diseases or conditions mediated by CB1receptors, such as metabolic syndrome and obesity, neuroinflammatory disorders, cognitive disorders and psychosis, addiction (e.g., smoking cessation), gastrointestinal disorders, and cardiovascular conditions.

A catalytic antibody against a tocopherol cyclase inhibitor

Manetsch, Roman,Zheng, Lei,Reymond, Martine T.,Woggon, Wolf-Dietrich,Reymond, Jean-Louis

, p. 2487 - 2506 (2007/10/03)

The cyclic ammonium cation 5 and its guanidinium analogue 4 areinhibitors of tocopherol cyclase. Monoclonal antibodies were raised against protein conjugates of the haptens 1-3 and screened for catalytic reactions with alkene 8, a short chain analogue of

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