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3-Phenyl-1,2,4-benzotriazine is a chemical compound with the molecular formula C15H10N4. It is a derivative of benzotriazine, which is a heterocyclic compound consisting of a benzene ring fused to a triazine ring. This particular compound features a phenyl group (C6H5) attached to the 3-position of the benzotriazine core. It is known for its potential applications in various chemical and pharmaceutical processes, such as the synthesis of dyes, pigments, and other organic compounds. Due to its unique structure, 3-phenyl-1,2,4-benzotriazine may exhibit interesting properties and reactivity, making it a subject of interest for researchers in the field of organic chemistry.

6299-90-7

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6299-90-7 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 6299-90-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,2,9 and 9 respectively; the second part has 2 digits, 9 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 6299-90:
(6*6)+(5*2)+(4*9)+(3*9)+(2*9)+(1*0)=127
127 % 10 = 7
So 6299-90-7 is a valid CAS Registry Number.

6299-90-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-phenyl-1,2,4-benzotriazine

1.2 Other means of identification

Product number -
Other names 3-phenylbenzo-1,2,4-triazine

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:6299-90-7 SDS

6299-90-7Relevant academic research and scientific papers

Facile synthesis of benzotriazines and indoles by ring-scissions of α- Benzotriazol-1-yl hydrazones

Katritzky, Alan R.,Wang, Jin,Karodia, Nazira,Li, Jianqing

, p. 3963 - 3976 (1997)

α-(Benzotriazol-1-yl)hydrazones 2a-d and 13a-c were prepared by refluxing the corresponding α-(benzotriazol-1-yl)ketones with p-tosyl hydrazide or benzenesulfonyl hydrazide. Treatment of 2a-b with n-butyllithium in the presence of TMEDA gave benzotriazines 6a-b, while lithiation of 13a-c resulted in indole derivatives 16a-c, depending on the structure of the hydrazones.

Synthesis of 1,2,4-Benzotriazines via Copper(I) Iodide/1 H -Pyrrole-2-carboxylic Acid Catalyzed Coupling of o -Haloacetanilides and N -Boc Hydrazine

Zhou, Yijun,Zhang, Zhigao,Jiang, Yongwen,Pan, Xianhua,Ma, Dawei

, p. 1586 - 1590 (2015)

Coupling of o-haloacetanilides and N-Boc hydrazine proceeded at room temperature under the catalysis of CuI/1H-pyrrole-2-carboxylic acid. The coupling products underwent oxidation to afford the azo compounds, which were subjected to deprotection with TFA

Cobalt-Catalyzed, Directed Intermolecular C-H Bond Functionalization for Multiheteroatom Heterocycle Synthesis: The Case of Benzotriazine

Wu, Weiping,Fan, Shuaixin,Li, Tielei,Fang, Lili,Chu, Benfa,Zhu, Jin

, p. 5652 - 5657 (2021/08/01)

Transition-metal-catalyzed, directed intermolecular C-H bond functionalization is synthetically useful but heavily underexplored in multiheteroatom heterocycle synthesis. Herein we report a cobalt catalytic method for the formation of a three-nitrogen-bearing benzotriazine scaffold via the coupling of arylhydrazine and oxadiazolone. This synthetic protocol features a low-cost base metal catalyst, a maximum number of heteroatoms built into a heterocycle, a distinct synthetic logic for benzotriazines, a superior step economy, and a broad substrate scope.

Aryl-Nickel-Catalyzed Benzylic Dehydrogenation of Electron-Deficient Heteroarenes

Zhang, Pengpeng,Huang, David,Newhouse, Timothy R.

supporting information, p. 1757 - 1762 (2020/02/04)

This manuscript describes the first practical benzylic dehydrogenation of electron-deficient heteroarenes, including pyridines, pyrazines, pyrimidines, pyridazines, and triazines. This transformation allows for the efficient benzylic oxidation of heteroarenes to afford heterocyclic styrenes by the action of nickel catalysis paired with an unconventional bromothiophene oxidant.

Palladium-Catalyzed ortho -Monoacylation of Arenes with Aldehydes via 1,2,4-Benzotriazine-Directed C-H Bond Activation

Cui, Bingcun,Hu, Gang,Huang, Guosheng,Jin, Shaofen,Liu, Jin,Liu, Tingting,Ni, Dongmei,Yu, Xin,Zhou, Yingxing

supporting information, p. 1407 - 1416 (2020/04/27)

An efficient palladium-catalyzed C-H bond functionalization/ ortho -monoacylation reaction of 3-aryl-1,2,4-benzotriazines with (hetero)aryl or alkyl aldehydes has been developed, which offers a facile and alternative strategy for direct modification and further diversification of 3-aryl-1,2,4-benzotriazines. Bioactive 1,2,4-benzotriazine has been employed as a novel directing group for the palladium-catalyzed regioselective monoacylation of sp 2 C-H bond protocol with broad substrate scope and good functional group tolerance.

C(3) Functional Derivatives of the Blatter Radical

Pomik?o, Dominika,Bodzioch, Agnieszka,Pietrzak, Anna,Kaszyński, Piotr

supporting information, p. 6995 - 6999 (2019/09/30)

A series of 3-substituted 1-phenyl-1,4-dihydrobenzo[e][1,2,4]triazin-4-yls 1 was prepared by addition of PhLi to 3-substituted benzo[e][1,2,4]triazines 2 followed by aerial oxidation. The scope of the C(3) substituents in the reaction was investigated, an

3-Substituted Benzo[ e][1,2,4]triazines: Synthesis and Electronic Effects of the C(3) Substituent

Bodzioch, Agnieszka,Pomik?o, Dominika,Celeda, Ma?gorzata,Pietrzak, Anna,Kaszyński, Piotr

, p. 6377 - 6394 (2019/05/24)

A series of 19 structurally diverse C(3)-substituted derivatives of benzo[e][1,2,4]triazine were synthesized from 3-chloro- (1c) and 3-iodobenzo[e][1,2,4]triazine (1d) obtained in three steps from 2-nitroaniline in 37-55% yields. Nucleophilic aromatic substitution and metal-catalyzed (Pd, Cu) reactions led to functional derivatives that include alkyl (C5H11), (het)aryl (Ph, 2-thienyl, ferrocenyl), ArCC, amine (NHPh and morpholine), PO(OEt)2, sulfanyl (SBu-t), alkoxide (OEt, OMe), and CN. The synthesis of C(3)-CF3 derivative 1g via the Ruppert reaction with 1d and its 1-oxide analogue 2d led to the substitution followed by formal addition of HCF3 to the C?N bond. Pd-catalyzed carbonylation reactions of 1d and 2d did not give the corresponding C(3)-carboxylic acids. Therefore, acid 1f was obtained through hydrolysis of the CN. The substituent effect on the electronic structure of the benzo[e][1,2,4]triazine ring was investigated by spectroscopic methods (UV-vis and NMR) augmented with density functional theory calculations. Results show significant effect of the C(3) substituent on the (1) transition energy and good correlation of the 1H NMR chemical shift with the substituent constant σp. Molecular and crystal structures of six derivatives were established with the single-crystal X-ray diffraction method, and the substituent impact on the molecular geometry was investigated.

Access to 1,4-Dihydrobenzo[e][1,2,4]triazin-4-yl Derivatives

Constantinides, Christos P.,Obijalska, Emilia,Kaszyński, Piotr

supporting information, p. 916 - 919 (2016/03/15)

A simple, one-pot method for the preparation of 1-aryl-3-phenyl-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl radicals by addition of aryllithium to the readily available 3-phenylbenzo[e][1,2,4]triazine followed by aerial oxidation is described. The intermediate

Reactivity of AllylSmBr/HMPA: Facile Synthesis of 3-Aryl-1,2,4- benzotriazines

Yin, Ruifeng,Zhou, Liejin,Liu, Huili,Mao, Hui,Lue, Xin,Wang, Xiaoxia

, p. 143 - 148 (2013/08/24)

3-Aryl-1,2,4-benzotriazines were conveniently prepared in moderate to good yields from 1,l-bis(benzotriazol-1-yl)methylarenes with allylsamarium bromide/hexamethylphosphramide (allylSmBr/HMPA). Preliminary results indicate that HMPA may enhance the reduci

Copper-catalyzed domino reaction of 2-haloanilines with hydrazides: A new route for the synthesis of benzo[e][1,2,4]triazine derivatives

Guo, Han,Liu, Jin,Wang, Xianxue,Huang, Guosheng

supporting information; experimental part, p. 903 - 906 (2012/05/20)

A copper-catalyzed domino reaction for the synthesis of benzo[e][1,2,4]triazine derivatives has been developed using readily available substituted 2-haloanilines and hydrazides as the starting materials. The procedure of the present method is mild, facile

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