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3,5-Dimethyl-4-methoxybenzonitrile 97, with the molecular formula C10H11NO and a molecular weight of 161.2 g/mol, is a white to off-white crystalline solid. It is a chemical compound that serves as an essential intermediate in the production of pharmaceuticals and agrochemicals. Known for its potentially hazardous nature, it requires careful handling and adherence to proper safety protocols.

152775-45-6

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152775-45-6 Usage

Uses

Used in Pharmaceutical Industry:
3,5-Dimethyl-4-methoxybenzonitrile 97 is used as a chemical intermediate for the synthesis of various pharmaceutical compounds. Its unique structure allows it to be a key component in the development of new drugs, contributing to the advancement of medicinal chemistry.
Used in Agrochemical Industry:
In the agrochemical sector, 3,5-Dimethyl-4-methoxybenzonitrile 97 is utilized as an intermediate in the production of various agrochemicals. Its role in the synthesis of these compounds helps to improve agricultural productivity and crop protection.
Used in Organic Synthesis:
3,5-Dimethyl-4-methoxybenzonitrile 97 is also employed in the synthesis of a wide range of organic compounds. Its versatility as a chemical building block makes it valuable in the creation of new organic molecules for various applications, including specialty chemicals and materials.

Check Digit Verification of cas no

The CAS Registry Mumber 152775-45-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,5,2,7,7 and 5 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 152775-45:
(8*1)+(7*5)+(6*2)+(5*7)+(4*7)+(3*5)+(2*4)+(1*5)=146
146 % 10 = 6
So 152775-45-6 is a valid CAS Registry Number.
InChI:InChI=1/C10H11NO/c1-7-4-9(6-11)5-8(2)10(7)12-3/h4-5H,1-3H3

152775-45-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-methoxy-3,5-dimethylbenzonitrile

1.2 Other means of identification

Product number -
Other names 3,5-Dimethyl-4-methoxybenzonitrile

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:152775-45-6 SDS

152775-45-6Relevant academic research and scientific papers

Pd-Catalyzed ipso, meta-Dimethylation of ortho-Substituted Iodoarenes via a Base-Controlled C-H Activation Cascade with Dimethyl Carbonate as the Methyl Source

Wu, Zhuo,Wei, Feng,Wan, Bin,Zhang, Yanghui

, p. 4524 - 4530 (2021/05/04)

A methyl group can have a profound impact on the pharmacological properties of organic molecules. Hence, developing methylation methods and methylating reagents is essential in medicinal chemistry. We report a palladium-catalyzed dimethylation reaction of ortho-substituted iodoarenes using dimethyl carbonate as a methyl source. In the presence of K2CO3 as a base, iodoarenes are dimethylated at the ipso- and meta-positions of the iodo group, which represents a novel strategy for meta-C-H methylation. With KOAc as the base, subsequent oxidative C(sp3)-H/C(sp3)-H coupling occurs; in this case, the overall transformation achieves triple C-H activation to form three new C-C bonds. These reactions allow expedient access to 2,6-dimethylated phenols, 2,3-dihydrobenzofurans, and indanes, which are ubiquitous structural motifs and essential synthetic intermediates of biologically and pharmacologically active compounds.

Dual Ligand-Enabled Nondirected C-H Cyanation of Arenes

Chen, Hao,Mondal, Arup,Wedi, Philipp,Van Gemmeren, Manuel

, p. 1979 - 1984 (2019/02/19)

Aromatic nitriles are key structural units in organic chemistry and, therefore, highly attractive targets for C-H activation. Herein, the development of an arene-limited, nondirected C-H cyanation based on the use of two cooperatively acting commercially available ligands is reported. The reaction enables the cyanation of arenes by C-H activation in the absence of directing groups and is therefore complementary to established approaches.

Acetonitrile as a cyanating reagent: Cu-catalyzed cyanation of arenes

Zhu, Yamin,Zhao, Mengdi,Lu, Wenkui,Li, Linyi,Shen, Zengming

supporting information, p. 2602 - 2605 (2015/06/16)

A novel approach to the Cu-catalyzed cyanation of simple arenes using acetonitrile as an attractive cyano source has been documented. The C-H functionalization of arenes without directing groups involves a sequential iodination/cyanation to give the desired aromatic nitriles in good yields. A highly efficient Cu/TEMPO system for acetonitrile C-CN bond cleavage has been discovered. TEMPO is used as a cheap oxidant and enables the reaction to be catalytic in copper. Moreover, TEMPOCH2CN 6 has been identified as the active cyanating agent and shows high reactivity for forming the -CN moiety.

NOVEL COMPOUNDS FOR TREATMENT OF NEURODEGENERATION ASSOCIATED WITH DISEASES, SUCH AS ALZHEIMER'S DISEASE OR DEMENTIA

-

Page/Page column 74-75, (2011/02/24)

The present invention relates to novel compounds of formula (I) and their pharmaceutical compositions. In addition, the present invention relates to therapeutic methods for the treatment and/or prevention of Aβ-related pathologies such as Downs syndrome, β- amyloid angiopathy such as but not limited to cerebral amyloid angiopathy or hereditary cerebral hemorrhage, disorders associated with cognitive impairment such as but not limited to MCI ("mild cognitive impairment"), Alzheimer Disease, memory loss, attention deficit symptoms associated with Alzheimer disease, neurodegeneration associated with diseases such as Alzheimer disease or dementia including dementia of mixed vascular and degenerative origin, pre-senile dementia, senile dementia and dementia associated with Parkinson's disease, progressive supranuclear palsy or cortical basal degeneration.

Seeking passe-partout in the catalytic asymmetric aziridination of imines: Evolving toward substrate generality for a single chemzyme

Mukherjee, Munmun,Gupta, Anil K.,Lu, Zhenjie,Zhang, Yu,Wulff, William D.

supporting information; experimental part, p. 5643 - 5660 (2010/11/18)

The asymmetric catalytic aziridination reaction (AZ reaction) of imines derived from dianisylmethyl (DAM) amine and tetra-methyldianisylmethyl (MEDAM) amine were examined with boroxinate catalysts prepared from both the VANOL and VAPOL ligands. This included an evaluation of different protocols for the preparation of the catalyst. The AZ reaction of DAM and MEDAM imines prepared from nine different aryl and aliphatic aldehydes were examined. The MEDAM imines were superior to the DAM imines in the AZ reaction, giving much higher asymmetric inductions and higher overall yields of aziridines. The MEDAM imines were found to also be superior to the previously studied diphenylmethyl (benzhydryl or Bh) and tetra-tert-butyldianisylmethyl (BUDAM) imines especially for imines derived from aliphatic aldehydes. The average asymmetric induction over the nine different MEDAM imines studied was 97% ee with the VAPOL catalyst and 96% ee with the VANOL catalyst. The MEDAM imines can be deprotected to give N-H aziridines in all cases except for some electron-rich aryl aldehydes. The MEDAM imines are much more reactive than benzhydryl imines, and this was most evident when a diazoacetate ester is replaced by a diazoacetamide. The less reactive diazoacetamides give very low yields in their reactions with benzhydryl imines but high yields with MEDAM imines.

Mapping the active site in a chemzyme: Diversity in the N-substituent in the catalytic asymmetric aziridination of imines

Zhang, Yu,Lu, Zhenjie,Desai, Aman,Wulff, William D.

supporting information; experimental part, p. 5429 - 5432 (2009/06/20)

(Chemical Equation Presented) The active site of the aziridination catalyst derived from either the VANOL or VAPOL ligand and B(OPh)3 is larger than expected and can accommodate not only significant substitution on the diarylmethyl unit of the imine but also that alkyl (but not perfluorylalkyl) substituents on the aryl groups lead to enhanced rates and enantioselection. The screen of diarylmethyl N-substituents on the imine revealed that the 3,5-di-tert-butyldianisylmethyl group (BUDAM) gave exceptionally high asymmetric inductions for imines of aryl aldehydes.

Antipicornavirus Activity of Tetrazole Analogues Related to Disoxaril

Diana, Guy D.,Cutcliffe, David,Volkots, Deborah L.,Mallamo, John P.,Bailey, Thomas R.,et al.

, p. 3240 - 3250 (2007/10/02)

A series of tetrazole analogues of Win 54954, a broad-spectrum antipicornavirus compound, has been synthesized to address the acid lability of the oxazoline ring of this series of compounds.The results of X-ray crystallography studies of several members o

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