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2-Butyl-benzoxazole is an organic compound with the molecular formula C11H13NO. It is a derivative of benzoxazole, a heterocyclic aromatic ring system consisting of a benzene ring fused to an oxazole ring. The compound features a butyl group (a four-carbon alkyl chain) attached to the 2-position of the benzoxazole structure. 2-Butyl-benzoxazole is characterized by its unique chemical properties, such as its aromaticity and potential reactivity with various functional groups. It may be used in the synthesis of pharmaceuticals, agrochemicals, or other specialty chemicals due to its structural diversity and potential for further functionalization.

6797-49-5

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6797-49-5 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 6797-49-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,7,9 and 7 respectively; the second part has 2 digits, 4 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 6797-49:
(6*6)+(5*7)+(4*9)+(3*7)+(2*4)+(1*9)=145
145 % 10 = 5
So 6797-49-5 is a valid CAS Registry Number.

6797-49-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(n-butyl)benzoxazole

1.2 Other means of identification

Product number -
Other names 2-butyl-benzooxazole

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:6797-49-5 SDS

6797-49-5Relevant academic research and scientific papers

Catalytic C-H Bond Alkylation of Azoles with Alkyl Halides Mediated by Nickel(II) Complexes of Phenanthridine-Based N^ N-^ N Pincer Ligands

Braun, Jason D.,Herbert, David E.,Mandapati, Pavan,Sidhu, Baldeep K.,Wilson, Gabrielle

, p. 1989 - 1997 (2020/06/08)

Ni(II) complexes supported by tridentate N^N-^N diarylamido pincer-type ligands have been demonstrated to act as active catalysts in the carbon-carbon bond forming alkylation of azoles using unactivated alkyl halides. Here, we show that benzann

Method of preparing benzoxazole compound

-

Paragraph 0076-0078; 0108, (2020/04/17)

The invention relates to a method of preparing a benzoxazole compound. According to the method, 2-aminophenol, olefin and carbon monoxide are used as reaction substrates, an organic solvent is used asa solvent, and the benzoxazole compound is prepared under the catalytic action of ruthenium-loaded metal oxide. The reaction process is as follows: adding an organic solvent, 2-aminophenol, olefin and a catalyst into a pressure vessel, introducing carbon monoxide, sealing, stirring, reacting at the temperature of not lower than 120 DEG C for not less than 0.5 hour, easily separating the catalystfrom the reaction system after the reaction, and recycling for many times, thereby obtaining the benzoxazole compound with the highest yield of 100%.

Transition-Metal-Free Alkylation/Arylation of Benzoxazole via Tf2O-Activated-Amide

Niu, Zhi-Jie,Li, Lian-Hua,Liu, Xue-Yuan,Liang, Yong-Min

, p. 5217 - 5222 (2019/11/13)

A transition-metal-free approach to the alkylation/arylation of benzoxazole was developed by employing Tf2O-activated-amide as the alkylating/arylating reagent. The mild reaction conditions, and particularly insensitivity to air and water, further enhance the synthetic potential in pharmaceutical synthesis. (Figure presented.).

Method for synthesizing benzoxazole through microwave radiation of benzamide compound in water phase

-

Paragraph 0017, (2019/03/08)

The invention discloses a method for synthesizing benzoxazole through microwave radiation of a benzamide compound in a water phase. The benzamide compound is added into the water phase under the microwave condition to be subjected to a cyclization reaction for generating the benzoxazole under the alkali condition, and the method for preparing the benzoxazole is environmentally friendly, easy and convenient to operate, safe, low in cost and efficient. Compared with the prior art, the method can be applied to a large number of functional groups, the yield is high, the number of by-products is small, and the method is easy to operate, safe, low in cost and environmentally friendly. (Please see the specifications for the formula).

Elemental Sulfur-Promoted Oxidative Rearranging Coupling between o-Aminophenols and Ketones: A Synthesis of 2-Alkyl benzoxazoles under Mild Conditions

Nguyen, Thanh Binh,Retailleau, Pascal

supporting information, p. 3887 - 3890 (2017/07/26)

In the presence of N-methylpiperidine, elemental sulfur was found to act as excellent oxidant in promoting oxidative rearranging coupling between o-aminophenols and ketones. A wide range of 2-alkylbenzoxazoles was obtained under mild conditions.

2-substituted benzoxazole preparation method of compound

-

, (2016/10/20)

The invention relates to a preparing method of 2-substituted benzoxazole compounds. The compounds are obtained by reaction of products obtained by reaction of acyl chloride and o-nitrophenol or derivatives thereof under catalyzing of reducing agent ammonium formate, a solvent and palladium-containing agents. According to the method, the reaction condition is mild, environment is protected, raw materials are rich and easy to obtain, operation is easy, yield is high, and various kinds of performance are optimized.

Utility of Nitrogen Extrusion of Azido Complexes for the Synthesis of Nitriles, Benzoxazoles, and Benzisoxazoles

Nimnual, Phongprapan,Tummatorn, Jumreang,Thongsornkleeb, Charnsak,Ruchirawat, Somsak

, p. 8657 - 8667 (2015/09/15)

The utility of the nitrogen extrusion reaction of azido complexes, generated in situ from the corresponding aldehydes or ketones with TMSN3 in the presence of ZrCl4 or TfOH, has been described. These azido complexes could undergo three different pathways, depending on the substrates. First, azido methanolate complexes or imine diazonium ions could lead to benzisoxazole products via an intramolecular nucleophilic substitution. Second, imine diazonium ions could also undergo either the elimination of proton to provide nitrile products in good to excellent yields or an aryl migration, followed by an intramolecular nucleophilic addition, to give benzoxazole products in good yields.

An improved protocol for synthesis of N-arylamides and benzoxazoles by the copper-catalyzed reaction of aryl halides with nitriles

Zhang, Dong-Xue,Xiang, Shi-Kai,Hu, Hao,Tan, Wen,Feng, Chun,Wang, Bi-Qin,Zhao, Ke-Qing,Hu, Ping,Yang, Hua

, p. 10022 - 10029 (2013/11/06)

An improved protocol for the synthesis of N-arylamides and benzoxazoles by the copper-catalyzed reaction of aryl halides with nitriles has been developed. Use of acetaldoxime as the hydrolysis reagent instead of H2O facilitates the operation of the reaction. The significantly decreased amount of nitriles, along with use of weak base K2CO3 instead of strong base KOH, makes this transformation atom-efficient and environmentally benign. A variety of N-arylamides and benzoxazole derivatives can be synthesized according to this approach.

A microwave assisted synthesis of benzoxazoles from carboxylic acids

Nieddu, Giammario,Giacomelli, Giampaolo

, p. 791 - 795 (2013/07/25)

A series of various poly-substituted benzoxazoles were synthesized starting from readily available carboxylic acids. The method is based on TCT (cyanuric chloride)/microwave acid activation and it is characterized by mild conditions, allowing for a wide range of starting materials and functionalization of final products.

Synthesis of N-arylamides by copper-catalyzed amination of aryl halides with nitriles

Xiang, Shi-Kai,Zhang, Dong-Xue,Hu, Hao,Shi, Jiang-Ling,Liao, Li-Guo,Feng, Chun,Wang, Bi-Qin,Zhao, Ke-Qing,Hu, Ping,Yang, Hua,Yu, Wen-Hao

supporting information, p. 1495 - 1499 (2013/06/27)

A copper-catalyzed amination of aryl halides with nitriles has been developed. The use of nitriles as nitrogen nucleophiles can make the synthesis of N-arylamides more simple than that using amides through in-situ hydrolysis. A variety of N-arylamides and benzoxazole derivatives can be synthesized according to this approach. Copyright

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