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1H-Pyrrolo[2,3-b]pyridine, 1-[(4-methylphenyl)sulfonyl]is a chemical compound with the molecular formula C16H13NO2S. It belongs to the class of organic compounds known as pyrrolopyridines, characterized by a six-membered aromatic ring with a pyrrole at the 1-position and a pyridine at the 2-position. 1H-Pyrrolo[2,3-b]pyridine, 1-[(4-methylphenyl)sulfonyl]also features a sulfonyl group, which is a functional group consisting of a sulfur atom bonded to two oxygen atoms and connected to an organic group. The presence of these functional groups endows 1H-Pyrrolo[2,3-b]pyridine, 1-[(4-methylphenyl)sulfonyl]with potential applications in various fields, including pharmaceuticals, agrochemicals, and materials science.

348640-02-8

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348640-02-8 Usage

Uses

Used in Pharmaceutical Industry:
1H-Pyrrolo[2,3-b]pyridine, 1-[(4-methylphenyl)sulfonyl]is used as a pharmaceutical intermediate for the synthesis of various drug candidates. Its unique structure and functional groups make it a promising candidate for the development of new therapeutic agents with potential applications in treating various diseases and disorders.
Used in Agrochemical Industry:
1H-Pyrrolo[2,3-b]pyridine, 1-[(4-methylphenyl)sulfonyl]is used as an agrochemical intermediate for the synthesis of pesticides and other crop protection agents. Its chemical properties and reactivity can be exploited to create novel compounds with improved efficacy and selectivity in controlling pests and diseases in agriculture.
Used in Materials Science:
1H-Pyrrolo[2,3-b]pyridine, 1-[(4-methylphenyl)sulfonyl]is used as a building block in the synthesis of advanced materials with specific properties. Its incorporation into polymers, coatings, and other materials can lead to the development of new products with enhanced performance characteristics, such as improved stability, durability, or functionality.

Check Digit Verification of cas no

The CAS Registry Mumber 348640-02-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,4,8,6,4 and 0 respectively; the second part has 2 digits, 0 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 348640-02:
(8*3)+(7*4)+(6*8)+(5*6)+(4*4)+(3*0)+(2*0)+(1*2)=148
148 % 10 = 8
So 348640-02-8 is a valid CAS Registry Number.
InChI:InChI=1/C14H12N2O2S/c1-11-4-6-13(7-5-11)19(17,18)16-10-8-12-3-2-9-15-14(12)16/h2-10H,1H3

348640-02-8SDS

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 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine

1.2 Other means of identification

Product number -
Other names 1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridine

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:348640-02-8 SDS

348640-02-8Relevant articles and documents

Defluorinative functionalization of Pd(II) fluoroalkyl complexes

Wade Wolfe, Michael M.,Shanahan, James P.,Kampf, Jeff W.,Szymczak, Nathaniel K.

, p. 18698 - 18705 (2020)

When subjected to arylboranes, anionic trifluoromethyl and difluorobenzyl palladium(II) complexes undergo fluoride abstraction followed by 1,1-migratory insertion. The resulting intermediate fluoroalkyl species can be induced to undergo a subsequent transmetalation and reductive elimination from either an in situ formed fluoroboronate (FB(Ar3)-) or an exogenous boronic acid/ ester (ArB(OR)2) and nucleophilic activator, representing a net defluorinative arylation reaction. The latter method enabled a structurally diverse substrate scope to be prepared from either an isolated palladium-CF3 complex, or from Pd(PPh3)4 and other commercially available reagents.

Isoxazole derivative containing xylose triazole structure as well as preparation method and application thereof

-

Paragraph 0024; 0034, (2021/09/26)

The invention discloses an isoxazole derivative containing a xylose triazole structure and a preparation method and application thereof. The compound 4 acetyl xylose triazole salicylaldoxime is firstly prepared, 3 - nitro -1 - p-toluenesulfonyl -7 - azain

Design, synthesis, biological evaluation and molecular modeling of novel 1H-pyrrolo[2,3-b]pyridine derivatives as potential anti-tumor agents

Wang, Ruifeng,Chen, Yixuan,Yang, Bowen,Yu, Sijia,Zhao, Xiangxin,Zhang, Cai,Hao, Chenzhou,Zhao, Dongmei,Cheng, Maosheng

, (2019/12/24)

A class of 3-substituted 1H-pyrrolo[2,3-b]pyridine derivatives were designed, synthesized and evaluated for their in vitro biological activities against maternal embryonic leucine zipper kinase (MELK). Among these derivatives, the optimized compound 16h e

Transition-Metal-Free and Visible-Light-Mediated Desulfonylation and Dehalogenation Reactions: Hantzsch Ester Anion as Electron and Hydrogen Atom Donor

Heredia, Micaela D.,Guerra, Walter D.,Barolo, Silvia M.,Fornasier, Santiago J.,Rossi, Roberto A.,Budén, Mariá E.

supporting information, p. 13481 - 13494 (2020/12/15)

Novel approaches for N- and O-desulfonylation under room temperature (rt) and transition-metal-free conditions have been developed. The first methodology involves the transformation of a variety of N-sulfonyl heterocycles and phenyl benzenesulfonates to the corresponding desulfonylated products in good to excellent yields using only KOtBu in dimethyl sulfoxide (DMSO) at rt. Alternately, a visible light method has been used for deprotection of N-methyl-N-arylsulfonamides with Hantzsch ester (HE) anion serving as the visible-light-absorbing reagent and electron and hydrogen atom donor to promote the desulfonylation reaction. The HE anion can be easily prepared in situ by reaction of the corresponding HE with KOtBu in DMSO at rt. Both protocols were further explored in terms of synthetic scope as well as mechanistic aspects to rationalize key features of desulfonylation processes. Furthermore, the HE anion induces reductive dehalogenation reaction of aryl halides under visible light irradiation.

Electron Transfer Photoredox Catalysis: Development of a Photoactivated Reductive Desulfonylation of an Aza-Heteroaromatic Ring

Qiang-Liu,Liu, Yu-Xiu,Song, Hong-Jian,Wang, Qing-Min

supporting information, p. 3110 - 3115 (2020/07/04)

Herein, we report a protocol for desulfonylation of aza-heteroaromatic rings via photoinduced electron transfer and hydrogen atom transfer. This general protocol has a wide substrate range and moderate to good yields. The utility of the method was demonstrated by the chemoselective desulfonylation of a molecule containing both an aliphatic and an aromatic sulfonamide. (Figure presented.).

DERIVATIVES OF QUINOLINE AS INHIBITORS OF DYRK1A AND/OR DYRK1B KINASES

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Paragraph 0445-0446, (2018/07/15)

The present invention relates to the compound of formula (I) and salts, stereoisomers, tautomers or N-oxides thereof. The present invention is further concerned with the use of such a compound or salt, stereoisomer, tautomer or N-oxide thereof as medicament and a pharmaceutical composition comprising said compound.

Depsipeptides Featuring a Neutral P1 Are Potent Inhibitors of Kallikrein-Related Peptidase 6 with On-Target Cellular Activity

De Vita, Elena,Schüler, Peter,Lovell, Scott,Lohbeck, Jasmin,Kullmann, Sven,Rabinovich, Eitan,Sananes, Amiram,He?ling, Bernd,Hamon, Veronique,Papo, Niv,Hess, Jochen,Tate, Edward W.,Gunkel, Nikolas,Miller, Aubry K.

supporting information, p. 8859 - 8874 (2018/10/09)

Kallikrein-related peptidase 6 (KLK6) is a secreted serine protease that belongs to the family of tissue kallikreins (KLKs). Many KLKs are investigated as potential biomarkers for cancer as well as therapeutic drug targets for a number of pathologies. KLK6, in particular, has been implicated in neurodegenerative diseases and cancer, but target validation has been hampered by a lack of selective inhibitors. This work introduces a class of depsipeptidic KLK6 inhibitors, discovered via high-throughput screening, which were found to function as substrate mimics that transiently acylate the catalytic serine of KLK6. Detailed structure-activity relationship studies, aided by in silico modeling, uncovered strict structural requirements for potency, stability, and acyl-enzyme complex half-life. An optimized scaffold, DKFZ-251, demonstrated good selectivity for KLK6 compared to other KLKs, and on-target activity in a cellular assay. Moreover, DKFZ-633, an inhibitor-derived activity-based probe, could be used to pull down active endogenous KLK6.

Asymmetric Hydrogenation of Azaindoles: Chemo- and Enantioselective Reduction of Fused Aromatic Ring Systems Consisting of Two Heteroarenes

Makida, Yusuke,Saita, Masahiro,Kuramoto, Takahiro,Ishizuka, Kentaro,Kuwano, Ryoichi

supporting information, p. 11859 - 11862 (2016/11/16)

High enantioselectivity was achieved for the hydrogenation of azaindoles by using the chiral catalyst, which was prepared from [Ru(η3-methallyl)2(cod)] and a trans-chelating bis(phosphine) ligand (PhTRAP). The dearomative reaction exclusively occurred on the five-membered ring, thus giving the corresponding azaindolines with up to 97:3 enantiomer ratio.

Palladium-catalyzed regioselective C-2 arylation of 7-azaindoles, indoles, and pyrroles with arenes

Laha, Joydev K.,Bhimpuria, Rohan A.,Prajapati, Dilip V.,Dayal, Neetu,Sharma, Shubhra

supporting information, p. 4329 - 4332 (2016/03/22)

A palladium-catalyzed regioselective C-2 arylation of 7-azaindoles, indoles, and pyrroles with arenes has been developed. This study unveils that a critical substrate dependent acid concentration is essential for achieving exclusive C-2 selectivity as wel

ISOTOPICALLY ENRICHED AZAINDOLES

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Paragraph 0285; 0286, (2015/03/13)

The present invention relates to a deuterated pyrrolo[2,3-b]pyridinyl compound that is useful for inhibiting Janus kinases. The invention also relates to processes and intermediates useful for preparing such a compound.

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