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2,5-DIMETHOXYBENZONITRILE, with the molecular formula C9H9NO2, is a chemical compound that exists as a white solid at room temperature. It features a benzonitrile core, which is an aromatic compound derived from benzene, with two methoxy (-OCH3) groups attached at the 2 and 5 positions of the benzene ring and a nitrile group (-C≡N) attached in the benzene ring. Handling this chemical requires appropriate safety measures as it may pose health and environmental hazards.

5312-97-0

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5312-97-0 Usage

Uses

Used in Organic Synthesis:
2,5-DIMETHOXYBENZONITRILE is used as a key intermediate in the synthesis of various organic compounds for [application reason]. Its unique structure allows for the formation of a wide range of derivatives, making it a valuable building block in the development of new molecules with potential applications in various industries.
Used in Pharmaceutical Industry:
2,5-DIMETHOXYBENZONITRILE is used as a starting material for the synthesis of pharmaceutical compounds for [application reason]. Its presence in the molecular structure can contribute to the development of new drugs with improved therapeutic properties, such as increased efficacy or reduced side effects.
Used in Chemical Research:
2,5-DIMETHOXYBENZONITRILE is used as a research tool in the study of chemical reactions and mechanisms for [application reason]. Its reactivity and structural features make it an interesting subject for exploring new reaction pathways and understanding the underlying chemistry.
Used in Material Science:
2,5-DIMETHOXYBENZONITRILE is used as a component in the development of new materials for [application reason]. Its incorporation into polymers or other materials can lead to the creation of materials with enhanced properties, such as improved stability, conductivity, or optical characteristics.

Check Digit Verification of cas no

The CAS Registry Mumber 5312-97-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,3,1 and 2 respectively; the second part has 2 digits, 9 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 5312-97:
(6*5)+(5*3)+(4*1)+(3*2)+(2*9)+(1*7)=80
80 % 10 = 0
So 5312-97-0 is a valid CAS Registry Number.
InChI:InChI=1/C26H23N3O2/c1-17-5-4-6-20(11-17)16-31-24-10-8-19(14-25(24)30-3)13-21(15-27)26-28-22-9-7-18(2)12-23(22)29-26/h4-14H,16H2,1-3H3,(H,28,29)

5312-97-0 Well-known Company Product Price

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  • (Code)Product description
  • CAS number
  • Packaging
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  • Alfa Aesar

  • (A15868)  2,5-Dimethoxybenzonitrile, 98%   

  • 5312-97-0

  • 5g

  • 797.0CNY

  • Detail
  • Alfa Aesar

  • (A15868)  2,5-Dimethoxybenzonitrile, 98%   

  • 5312-97-0

  • 25g

  • 3387.0CNY

  • Detail

5312-97-0Relevant academic research and scientific papers

Method for catalyzing receptor-free dehydrogenation of primary amine to generate nitrile by Ru coordination compound

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Paragraph 0034-0039; 0196-0201, (2020/09/16)

The invention discloses a method for catalyzing receptor-free dehydrogenation of primary amine to generate nitrile by a Ru coordination compound. The method comprises: adding a Ru coordination compound, an alkali, a primary amine and an organic solvent into a reaction test tube according to a mol ratio of 1:100:(100-500):1000-3000, and carrying out a stirring reaction under the condition of 80 to120 DEG C; and when gas chromatography monitors that the raw materials completely disappear, stopping the reaction, collecting the reaction solution, centrifuging the reaction solution, taking the supernatant, extracting with dichloromethane, merging the organic phases, drying, filtering, evaporating the organic solvent under reduced pressure to obtain a filtrate, and carrying out column chromatography purification on the filtrate to obtain the target product nitrile. According to the invention, the catalyst is good in activity, single in catalytic system, good in product selectivity, simple in subsequent treatment and good in system universality after the reaction is finished, has a good catalytic effect on various aryl, alkyl and heteroaryl substituted primary amines, and also has a gooddehydrogenation performance on secondary amines.

Acceptorless dehydrogenation of amines to nitriles catalyzed by N-heterocyclic carbene-nitrogen-phosphine chelated bimetallic ruthenium (II) complex

Chen, Hua,Fu, Haiyan,Ji, Li,Li, Ruixiang,Nie, Xufeng,Zheng, Yanling

, p. 378 - 385 (2020/10/02)

We have developed a clean, atom-economical and environmentally friendly route for acceptorless dehydrogenation of amines to nitriles by combining a new dual N-heterocyclic carbene-nitrogen-phosphine ligand R(CNP)2 (R = o-xylyl) with a ruthenium precursor [RuCl2(η6-C6H6)]2. In this system, the electronic and steric factors of amines had a negligible influence on the reaction and a broad range of functional groups were well tolerated. All of the investigated amines could be converted to nitriles in good yield of up to 99% with excellent selectivity. The unprecedented catalytic performance of this system is attributed to the synergistic effect of two ruthenium centers chelated by R(CNP)2 and a plausible reaction mechanism is proposed according to the active species found via in situ NMR and HRMS.

Transformation of aromatic bromides into aromatic nitriles with n-BuLi, pivalonitrile, and iodine under metal cyanide-free conditions

Uchida, Ko,Togo, Hideo

, (2019/09/04)

Various aromatic nitriles could be obtained in good yields by the treatment of aryl bromides with n-butyllithium and then pivalonitrile, followed by the treatment with molecular iodine at 70 °C, without metal cyanides under transition-metal-free conditions. The present reaction proceeds through the radical β-elimination of imino-nitrogen-centered radicals formed from the reactions of imines and N-iodoimines under warming conditions.

Iron and Phenol Co-Catalysis for Rapid Synthesis of Nitriles under Mild Conditions

Meng, Hong,Gao, Sen,Luo, Meiming,Zeng, Xiaoming

, p. 4617 - 4623 (2019/07/15)

A mild, scalable, high yielding, and rapid route to access diverse nitriles from aldehyde oxime esters enabled by iron(III) and phenol co-catalysis has been developed. The reaction was performed at room temperature to give nitriles in excellent yield within minutes. Mechanistic studies show that the reaction may proceed through a radical process in which benzoyl aldehyde oxime is not only a substrate, but also an ancillary ligand to support iron salt in the promotion of the transformation.

Access to nitriles from aldehydes mediated by an oxoammonium salt

Kelly, Christopher B.,Lambert, Kyle M.,Mercadante, Michael A.,Ovian, John M.,Bailey, William F.,Leadbeater, Nicholas E.

, p. 4241 - 4245 (2015/04/14)

A scalable, high yielding, rapid route to access an array of nitriles from aldehydes mediated by an oxoammonium salt (4-acetylamino-2,2,6,6-tetramethylpiperidine-1-oxoammonium tetrafluoroborate) and hexamethyldisilazane (HMDS) as an ammonia surrogate has been developed. The reaction likely involves two distinct chemical transformations: reversible silyl-imine formation between HMDS and an aldehyde, followed by oxidation mediated by the oxoammonium salt and desilylation to furnish a nitrile. The spent oxidant can be easily recovered and used to regenerate the oxoammonium salt oxidant.

Two ways of preparing benzonitriles using BrCCl3-PPh3 as the reagent

Jasem, Yosef Al,Barkhad, Mohamed,Khazali, Mona Al,Butt, Hifsa Pervez,El-Khwass, Noha Ashraf,Azani, Mariam Al,Hindawi, Bassam Al,Thiemann, Thies

, p. 80 - 84 (2014/03/21)

Benzamides were converted into benzonitriles with BrCCl3- PPh3-Et3N in CH2Cl2 in an Appel-type reaction. Benzaldoximes could be transformed to benzonitriles under identical conditions. It was found that the reaction system BrCCl3-(2 equiv.)PPh3 was also suitable for these transformations with PPh 3 replacing Et3N.

Schmidt reaction in ionic liquids: Highly efficient and selective conversion of aromatic and heteroaromatic aldehydes to nitriles with [BMIM(SO3H)][OTf] as catalyst and [BMIM][PF6] as solvent

Nandi, Ganesh C.,Laali, Kenneth K.

, p. 2177 - 2179 (2013/04/24)

A mild and selective method is presented for the conversion of aromatic and heteroaromatic aldehydes to nitriles via the Schmidt reaction with TMSN 3 by using [BMIM(SO3H)][OTf] as catalyst and [BMIM][PF6] as solvent. The method offers high yields and simple product isolation, and avoids the use of liquid superacids or corrosive Lewis acids commonly employed for this transformation. It also offers some potential for recycling/reuse of the IL solvent.

Practical one-pot transformation of electron-rich aromatics into aromatic nitriles with molecular iodine and aq NH3 using Vilsmeier-Haack reaction

Ushijima, Sousuke,Moriyama, Katsuhiko,Togo, Hideo

experimental part, p. 4588 - 4595 (2012/07/27)

Various electron-rich aromatics could be efficiently transformed into the corresponding aromatic nitriles in good to moderate yields by treatment with DMF and POCl3, followed by the reaction with molecular iodine or 1,3-diiodo-5,5-dimethylhydantoin (DIH) in aq NH3. Some of less reactive aromatics, such as anisole, 1,2-dimethoxybenzene, 1,4-dimethoxybenzene, and mesityrene, could be also transformed into the corresponding aromatic nitriles in good to moderate yields using N-methylformanilide and O(POCl 2)2, followed by the reaction with molecular iodine in aq NH3. Moreover, propiophenone derivatives could be successfully transformed into the corresponding β-chlorocinnamonitriles by the reaction with DMF and POCl3, followed by the reaction with molecular iodine and aq NH3. These reactions are novel metal-free one-pot methods for the preparation of aromatic nitriles from electron-rich aromatics and β-chlorocinnamonitriles from propiophenones.

One-pot conversion of aromatic bromides and aromatics into aromatic nitriles via aryllithiums and their DMF adduct

Ushijima, Sousuke,Moriyama, Katsuhiko,Togo, Hideo

experimental part, p. 958 - 964 (2011/03/19)

Various aromatic bromides and iodides were smoothly converted into the corresponding aromatic nitriles in good to moderate yields by the treatment with n-butyllithium and subsequently DMF, followed by treatment with molecular iodine in aq NH3. The same treatment of typical aromatics and heteroaromatics with n-butyllithium and subsequently DMF, followed by treatment with molecular iodine in aq NH3 also provided the corresponding aromatic nitriles in good yields. Moreover, the same treatment of aromatic bromides and aromatics with half amount of DIH (1,3-diiodo-5,5- dimethylhydantoin) instead of molecular iodine worked effectively to give the corresponding aromatic nitriles, respectively, in good yields. These reactions are novel and environmentally benign one-pot methods for the preparation of aromatic nitriles from aromatic bromides and aromatics, respectively, through the formation of aryllithiums and their DMF adducts.

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