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Benzoxazole,4-Methyl-, also known as 4-Methylbenzoxazole, is a heterocyclic aromatic compound with the molecular formula C9H9NO. It features a benzene ring fused to an oxazole ring, making it a versatile building block in various chemical syntheses.

107165-67-3

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107165-67-3 Usage

Uses

Used in Pharmaceutical and Agrochemical Industries:
Benzoxazole,4-Methylis used as a key building block in the synthesis of pharmaceuticals and agrochemicals. Its unique structure contributes to the development of new drugs and pesticides, enhancing their efficacy and selectivity.
Used in Dye and Pigment Production:
Benzoxazole,4-Methylis utilized in the production of dyes and pigments due to its aromatic nature and color-yielding properties. It helps in creating a wide range of colors for various applications, including textiles, plastics, and printing inks.
Used as a Fragrance Ingredient in Personal Care Products:
Benzoxazole,4-Methylis employed as a fragrance ingredient in perfumes and other personal care products. Its aromatic properties contribute to the creation of pleasant and long-lasting scents, enhancing the sensory experience of these products.
Used in Anti-Cancer and Anti-Inflammatory Research:
Benzoxazole,4-Methylhas been studied for its potential anti-cancer and anti-inflammatory properties. Its unique chemical structure may offer new therapeutic avenues for the treatment of various diseases, including cancer and inflammatory conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 107165-67-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,7,1,6 and 5 respectively; the second part has 2 digits, 6 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 107165-67:
(8*1)+(7*0)+(6*7)+(5*1)+(4*6)+(3*5)+(2*6)+(1*7)=113
113 % 10 = 3
So 107165-67-3 is a valid CAS Registry Number.

107165-67-3SDS

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-methyl-1,3-benzoxazole

1.2 Other means of identification

Product number -
Other names 4-Methylbenzo[d]oxazole

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:107165-67-3 SDS

107165-67-3Relevant academic research and scientific papers

TETRAHYDROISOQUINOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF

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Paragraph 0199-0200, (2021/09/10)

Provided are a tetrahydroisoquinoline derivative, a preparation method therefor and an application thereof in medicine. In particular, provided are a tetrahydroisoquinoline derivative represented by general formula (I), a preparation method therefor and a

Amino Acids: Nontoxic and Cheap Alternatives for Amines for the Synthesis of Benzoxazoles through the Oxidative Functionalization of Catechols

Aberi, Mahdi,Aboonajmi, Jasem,Sharghi, Hashem,Shekouhy, Mohsen

, p. 1064 - 1083 (2020/01/24)

The nano magnetic Fe3O4 (NM?Fe3O4) was applied for the synthesis of benzoxazoles via a C(aryl)?OH functionalization of catechol derivatives and amines in ethanol at room temperature. In the next step, amino acids have been applied as nontoxic and cheap alternatives for amines. The obtained products were similar with the regular amines case. This is the first report about the application of amino acids as alternatives for primary amines in organic synthesis. Furthermore, the presented method was successfully applied toward the synthesis of desired products in large scales. (Figure presented.).

COMPOUND HAVING ZNF143 INHIBITORY ACTIVITY AND USE THEREOF

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Paragraph 0090; 0106, (2016/10/27)

PROBLEM TO BE SOLVED: To provide a compound having a ZNF143 inhibitory activity as well as to provide a ZNF143 inhibitory agent and pharmaceutical composition containing the same. SOLUTION: Provided is a compound represented by formula (I) or a salt thereof as well as a ZNF143 inhibitory agent containing the same and a pharmaceutical composition having the same as an active ingredient. A-B-C-D (I)[A is H, a methyl group, a naphthyl group, a phenyl group or a nitrogen-containing heterocyclic ring; B is as shown below, and C is an amide bond or a heteroaromatic ring containing N and O; D is a substituted/unsubstituted phenyl group or a monocyclic heteroaromatic ring containing N or S; and C and D are both fused heterocyclic ring or the like optionally having a substituent group.]. SELECTED DRAWING: Figure 1 COPYRIGHT: (C)2016,JPOandINPIT

Direct C-H iodination of 1,3-azoles catalysed by CuBr2

Zhao, Xia,Ding, Fang,Li, Jingyu,Lu, Kui,Lu, Xiaoyu,Wang, Bin,Yu, Peng

supporting information, p. 511 - 513 (2015/02/19)

A mild method was developed for the direct C-H iodination of 1,3-azoles catalysed by CuBr2. Compared with the traditional metalation/iodination sequences carried out with nBuLi or TMPLi (TMP = 2,2,6,6-tetramethylpiperidino), a relatively weaker base, LiOtBu, was used in the presence of 1,10-phenanthroline. Five series of 1,3-azoles, including benzoxazole, benzothiozole, N-methyl-benzoimidazole, 5-phenyloxazole and 2-phenyl-1,3,4-oxadiazole were tested and afforded the corresponding iodination products.

Copper-catalyzed oxidative decarboxylative C-H arylation of benzoxazoles with 2-nitrobenzoic acids

Chen, Lijun,Ju, Lin,Bustin, Katelyn A.,Hoover, Jessica M.

supporting information, p. 15059 - 15062 (2015/10/12)

A copper-catalyzed oxidative decarboxylative coupling of benzoxazoles with 2-nitrobenzoic acids was developed. This methodology favors electron-rich benzoxazoles and electron-deficient benzoic acids and enables the preparation of a variety of arylated benzoxazoles in good yields. The trends in product yields suggest a delicate balance between the decarboxylation and C-H arylation steps.

Rh(I)-bisphosphine-catalyzed asymmetric, intermolecular hydroheteroarylation of α-substituted acrylate derivatives

Filloux, Claire M.,Rovis, Tomislav

supporting information, p. 508 - 517 (2015/01/30)

Asymmetric hydroheteroarylation of alkenes represents a convenient entry to elaborated heterocyclic motifs. While chiral acids are known to mediate asymmetric addition of electron-rich heteroarenes to Michael acceptors, very few methods exploit transition metals to catalyze alkylation of heterocycles with olefins via a C-H activation, migratory insertion sequence. Herein, we describe the development of an asymmetric, intermolecular hydroheteroarylation reaction of α-substituted acrylates with benzoxazoles. The reaction provides 2-substitued benzoxazoles in moderate to excellent yields and good to excellent enantioselectivities. Notably, a series of mechanistic studies appears to contradict a pathway involving enantioselective protonation of a Rh(I)-enolate, despite the fact that such a mechanism is invoked almost unanimously in the related addition of aryl boronic acids to methacrylate derivatives. Evidence suggests instead that migratory insertion or beta-hydride elimination is enantiodetermining and that isomerization of a Rh(I)-enolate to a Rh(I)-heterobenzyl species insulates the resultant α-stereocenter from epimerization. A bulky ligand, CTH-(R)-Xylyl-P-Phos, is crucial for reactivity and enantioselectivity, as it likely discourages undesired ligation of benzoxazole substrates or intermediates to on- or off-cycle rhodium complexes and attenuates coordination-promoted product epimerization.

Palladium-catalyzed coupling of polyfluorinated arenes with heteroarenes via C-F/C-H activation

Yu, Daohong,Lu, Long,Shen, Qilong

supporting information, p. 940 - 943 (2013/03/29)

The first palladium-catalyzed coupling of 2-pyridyl-polyfluoroarenes and benzoxazole, thiazole, benzothiazole, benzoimidazole, oxazole or oxadiazole via a concurrent C-F/C-H activation is described. Initial mechanistic studies showed that C-F activation o

Amination of benzoxazoles and 1,3,4-oxadiazoles using 2,2,6,6- tetramethylpiperidine-N-oxoammonium tetrafluoroborate as an organic oxidant

Wertz, Sebastian,Kodama, Shintaro,Studer, Armido

supporting information; experimental part, p. 11511 - 11515 (2012/01/11)

No transition metals are necessary to convert benzoxazoles and 1,3,4-oxadiazoles into the corresponding pharmacologically interesting 2-aminated heterocycles by formal direct C(2)-amination using tetramethylpiperidine-N-oxoammonium tetrafluoroborate (TEMPO+BF 4-) as an oxidant (see scheme; TEMP=2,2,6,6- tetramethylpiperidine; TfOH=trifluoromethanesulfonic acid).

Copper-catalyzed oxidative amination of benzoxazoles via C-H and C-N bond activation: A new strategy for using tertiary amines as nitrogen group sources

Guo, Shengmei,Qian, Bo,Xie, Yinjun,Xia, Chungu,Huang, Hanmin

experimental part, p. 522 - 525 (2011/04/18)

An efficient and conceptually new method for oxidative amination of azoles with tertiary amines via copper-catalyzed C-H and C-N bond activation has been developed. This protocol can be performed in the absence of external base and only requires atmospheric oxygen as oxidant. The catalyst system is very simple and efficient, which opens a new way for using tertiary amines as nitrogen group sources for C-N bond formation reactions.

Cobalt- and manganese-catalyzed direct amination of azoles under mild reaction conditions and the mechanistic details

Kim, Ji Young,Cho, Seung Hwan,Joseph, Jomy,Chang, Sukbok

supporting information; experimental part, p. 9899 - 9903 (2011/02/25)

A bonding moment: A new cobalt- or manganese-catalyzed amination of azoles has been developed using peroxide and an acid additive to couple various types of azoles with ammonia, and primary or secondary amines (see scheme). The catalyst loadings are low, the optimal reaction conditions are mild, and the substrate scope is broad. The product azoles are an important pharmacophore of high biological activity. Copyright

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