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1-Benzyl-1H-indole-2-carboxylic acid, also known as benzylindol-2-carboxylic acid, is a chemical compound with the molecular formula C19H15NO2. It is a derivative of indole and carboxylic acid, featuring a benzyl group attached to the indole ring. 1-benzyl-1H-indole-2-carboxylic acid is known for its structural and functional properties, which make it a versatile chemical with potential applications in various fields.

17017-71-9

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17017-71-9 Usage

Uses

Used in Organic Synthesis:
1-Benzyl-1H-indole-2-carboxylic acid is used as a building block in organic synthesis for its ability to form a variety of complex organic molecules. Its unique structure allows for the creation of new compounds with potential applications in various industries.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 1-benzyl-1H-indole-2-carboxylic acid is used as a precursor for the development of new pharmaceuticals. Its potential biological activities, such as antimicrobial, antifungal, and anti-inflammatory effects, make it a promising candidate for drug development.
Used in Pharmaceutical Industry:
1-Benzyl-1H-indole-2-carboxylic acid is used as an active pharmaceutical ingredient for the treatment of various diseases and conditions. Its diverse biological activities contribute to its potential as a therapeutic agent in the development of new medications.
Used in Dye and Pigment Production:
Due to its aromatic and heterocyclic nature, 1-benzyl-1H-indole-2-carboxylic acid is used in the production of dyes and pigments. Its chemical properties allow for the creation of vibrant and stable colorants for use in various applications, such as textiles, plastics, and printing inks.
Overall, 1-benzyl-1H-indole-2-carboxylic acid is a versatile chemical compound with a wide range of potential applications across different industries, including organic synthesis, medicinal chemistry, pharmaceuticals, and dye and pigment production. Its unique structure and functional properties make it a valuable asset in the development of new and innovative products.

Check Digit Verification of cas no

The CAS Registry Mumber 17017-71-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,7,0,1 and 7 respectively; the second part has 2 digits, 7 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 17017-71:
(7*1)+(6*7)+(5*0)+(4*1)+(3*7)+(2*7)+(1*1)=89
89 % 10 = 9
So 17017-71-9 is a valid CAS Registry Number.
InChI:InChI=1/C16H13NO2/c18-16(19)15-10-13-8-4-5-9-14(13)17(15)11-12-6-2-1-3-7-12/h1-10H,11H2,(H,18,19)

17017-71-9SDS

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-benzylindole-2-carboxylic acid

1.2 Other means of identification

Product number -
Other names 1h-indole-2-carboxylic acid,1-(phenylmethyl)

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:17017-71-9 SDS

17017-71-9Relevant academic research and scientific papers

Calcium-Catalyzed Formal [5 + 2] Cycloadditions of Alkylidene β-Ketoesters with Olefins: Chemodivergent Synthesis of Highly Functionalized Cyclohepta[ b]indole Derivatives

Parker, Ariel N.,Martin, M. Cynthia,Shenje, Raynold,France, Stefan

supporting information, p. 7268 - 7273 (2019/10/08)

The calcium-catalyzed, formal [5 + 2] cycloaddition of indolyl alkylidene β-ketoesters with mono- A nd disubstituted aryl olefins to form cyclohepta[b]indole derivatives has been established. Unanticipated chemodivergence with phenyl vinyl sulfide/ether revealed a double [5 + 2] cycloaddition cascade providing ethano-bridged cyclohepta[b]indoles. Overall, the method's highlights include: (1) use of a green, calcium-based catalyst (2.5 mol % loading); (2) reaction times under 1 h; (3) mild reaction conditions; (4) substrate-derived chemodivergence; (5) functional group tolerance; and (6) examples of derivatization.

N-(piperidin-4-yl)-1H-indole-2-carboxamide derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating Urotensin-Ⅱ receptor activity related diseases containing the same as an active ingredient

-

Paragraph 0342; 0348-0350, (2017/05/18)

The present invention relates to N-(piperidin-4-yl)-1H-indole-2-carboxamide derivatives, a preparation method thereof, and a pharmaceutical composition for preventing or treating urotensin-II receptor activity-related diseases comprising the same as activ

Synthesis of new functionalized indoles based on ethyl indol-2-carboxylate

Boraei, Ahmed T. A.,El Ashry, El Sayed H.,Barakat, Assem,Ghabbour, Hazem A.

, (2016/04/20)

Successful alkylations of the nitrogen of ethyl indol-2-carboxylate were carried out using aq. KOH in acetone. The respective N-alkylated acids could be obtained without separating the N-alkylated esters by increasing the amount of KOH and water. The use of NaOMe in methanol led to transesterification instead of the alkylation, while the use of NaOEt led to low yields of the N-alkylated acids. Hydrazinolysis of the ester gave indol-2-carbohydrazide which then was allowed to react with different aromatic aldehydes and ketones in ethanol catalyzed by acetic acid. Indol-2-thiosemicarbazide was used in a heterocyclization reaction to form thiazoles. The new structures were confirmed using NMR, mass spectrometry and X-ray single crystal analysis.

Diversity oriented synthesis of β-carbolinone and indolo-pyrazinone analogues based on an Ugi four component reaction and subsequent cyclisation of the resulting indole intermediate

Purohit, Pooja,Pandey, Anand Kumar,Kumar, Brijesh,Chauhan, Prem M. S.

, p. 21165 - 21186 (2016/03/04)

A one-pot domino multicomponent reaction for the rapid, integrated and versatile synthesis of highly functionalized β-carbolinones (9a-9ab) and indolo-pyrazinones (10a-10ab) has been established. The reaction involves an Ugi-four component reaction of ind

Identification of indole scaffold-based dual inhibitors of NOD1 and NOD2

Ke?ek Ple?ec, Kaja,Urban?i?, Dunja,Gobec, Martina,Peko?ak, Aleksandra,Toma?i?, Tihomir,Anderluh, Marko,Mlinari?-Ra??an, Irena,Jakopin, ?iga

, p. 5221 - 5234 (2016/10/24)

NOD1 and NOD2 are important members of the pattern recognition receptor family and play a crucial role within the context of innate immunity. However, overactivation of NODs, especially of NOD1, has also been implicated in a number of diseases. Surprisingly, NOD1 remains a virtually unexploited target in this respect. To gain additional insight into the structure–activity relationships of NOD1 inhibitors, a series of novel analogs has been designed and synthesized and then screened for their NOD1-inhibitory activity. Selected compounds were also investigated for their NOD2-inhibitory activity. Two compounds 4 and 15, were identified as potent mixed inhibitors of NOD1 and NOD2, displaying a balanced inhibitory activity on both targets in the low micromolar range. The results obtained have enabled a deeper understanding of the structural requirements for NOD1 and NOD2 inhibition.

Synthesis of 3,3-Dihalo-2-oxindoles from 2-Substituted Indoles via Halogenation–Decarboxylation/Desulfonamidation–Oxidation Process

Jiang, Xiaojian,Zhang, Feng,Yang, Junjie,Yu, Pei,Yi, Peng,Sun, Yewei,Wang, Yuqiang

supporting information, p. 3938 - 3942 (2016/12/30)

A novel one-pot reaction which combines halogenation, decarboxylation/desulfonamidation with oxidation has been developed. Diverse valuable 3,3-dihalo-2-oxindole compounds can be produced rapidly and safely with isolated yields of up to 98% under mild conditions. (Figure presented.).

Hydroxamic acids block replication of hepatitis c virus

Ai, Teng,Xu, Yanli,Qiu, Li,Geraghty, Robert J.,Chen, Liqiang

, p. 785 - 800 (2015/01/30)

Intrigued by the role of protein acetylation in hepatitis C virus (HCV) replication, we tested known histone deacetylase (HDAC) inhibitors and a focused library of structurally simple hydroxamic acids for inhibition of a HCV subgenomic replicon. While known HDAC inhibitors with varied inhibitory profiles proved to be either relatively toxic or ineffective, structure-activity relationship (SAR) studies on cinnamic hydroxamic acid and benzo[b]thiophen-2-hydroxamic acid gave rise to compounds 22 and 53, which showed potent and selective anti-HCV activity and therefore are promising starting points for further structural optimization and mechanistic studies.

Pyrazole Compounds as CRTH2 Antagonists

-

Paragraph 0192, (2013/03/26)

Pyrazole compounds of formula (Ia) or (Ib) and pharmaceutically acceptable salts thereof, wherein Ra, Rb, Rc, Rd, Y1, Y2, Y3, Y4, Y5, Z, R1, Rsu

Optimization of novel indole-2-carboxamide inhibitors of neurotropic alphavirus replication

Sindac, Janice A.,Barraza, Scott J.,Dobry, Craig J.,Xiang, Jianming,Blakely, Pennelope K.,Irani, David N.,Keep, Richard F.,Miller, David J.,Larsen, Scott D.

, p. 9222 - 9241 (2014/01/06)

Neurotropic alphaviruses, which include western equine encephalitis virus (WEEV) and Fort Morgan virus, are mosquito-borne pathogens that infect the central nervous system causing acute and potentially fatal encephalitis. We previously reported a novel series of indole-2-carboxamides as alphavirus replication inhibitors, one of which conferred protection against neuroadapted Sindbis virus infection in mice. We describe here further development of this series, resulting in 10-fold improvement in potency in a WEEV replicon assay and up to 40-fold increases in half-lives in mouse liver microsomes. Using a rhodamine123 uptake assay in MDR1-MDCKII cells, we were able to identify structural modifications that markedly reduce recognition by P-glycoprotein, the key efflux transporter at the blood-brain barrier. In a preliminary mouse PK study, we were able to demonstrate that two new analogues could achieve higher and/or longer plasma drug exposures than our previous lead and that one compound achieved measurable drug levels in the brain.

PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS

-

Page/Page column 44, (2012/08/08)

The present invention relates to pyrazole compounds of formula (1a) or (1b) and pharmaceutically acceptable salts thereof, wherein Ra, Rb, Rc, Rd, Y1, y2, y3, y4, y5, Z, R1, R2, n and R3 have one of the meanings as indicated in the specification and claims, to their use as medicaments, to pharmaceutical formulation containing said compounds and to pharmaceutical formulations said compounds in combination with one or more active substances. The compounds have CRTH2 antagonistic activity.

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