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1H-Indole-2-carboxylic acid, 5-fluoro-3-formyl-, ethyl ester is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

199603-85-5

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199603-85-5 Usage

Molecular structure

1H-Indole-2-carboxylic acid, 5-fluoro-3-formyl-, ethyl ester is derived from the core structure of indole-2-carboxylic acid, with a fluorine atom at the 5-position, a formyl group at the 3-position, and an ethyl ester group attached to the carboxylic acid.

Functional groups

The compound contains several functional groups, including an indole ring, a carboxylic acid group, a fluorine atom, a formyl group, and an ethyl ester group.

Reactivity

The presence of the fluoro and formyl groups can impart unique properties and reactivity to the compound, making it useful in a wide range of chemical transformations.

Applications

1H-Indole-2-carboxylic acid, 5-fluoro-3-formyl-, ethyl ester has potential applications in pharmaceuticals and agrochemicals, as well as in the production of functional materials.

Synthesis

The compound is commonly used as a building block in organic synthesis, due to its unique structure and reactivity.

Physical properties

The specific physical properties of 1H-Indole-2-carboxylic acid, 5-fluoro-3-formyl-, ethyl ester are not provided in the material, but may include characteristics such as solubility, melting point, and boiling point.

Check Digit Verification of cas no

The CAS Registry Mumber 199603-85-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,9,9,6,0 and 3 respectively; the second part has 2 digits, 8 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 199603-85:
(8*1)+(7*9)+(6*9)+(5*6)+(4*0)+(3*3)+(2*8)+(1*5)=185
185 % 10 = 5
So 199603-85-5 is a valid CAS Registry Number.

199603-85-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name Ethyl 5-fluoro-3-formyl-1H-indole-2-carboxylate

1.2 Other means of identification

Product number -
Other names -

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:199603-85-5 SDS

199603-85-5Relevant academic research and scientific papers

Discovery of 3-Substituted 1H-Indole-2-carboxylic Acid Derivatives as a Novel Class of CysLT1 Selective Antagonists

Chen, Huayan,Yang, Hui,Wang, Zhilong,Xie, Xin,Nan, Fajun

, p. 335 - 339 (2016/03/25)

The indole derivative, 3-((E)-3-((3-((E)-2-(7-chloroquinolin-2yl)vinyl)phenyl)amino)-3-oxoprop-1-en-1-yl)-7-methoxy-1H-indole-2-carboxylic acid (17k), was identified as a novel and highly potent and selective CysLT1 antagonist with IC50 values of 0.0059 ± 0.0011 and 15 ± 4 μM for CysLT1 and CysLT2, respectively.

Synthesis and biological activity of functionalized indole-2-carboxylates, triazino- and pyridazino-indoles

El-Gendy, Adel A.,Said, Mohamed M.,Ghareb, Nagat,Mostafa, Yasser M.,El-Ashry, El Sayed H.

experimental part, p. 294 - 300 (2009/04/11)

Condensation of aryl hydrazines with ethyl pyruvate gave the respective hydrazones 4-6; Fischer indolization led to substituted-1H-indole-2-carboxylic acid ethyl esters 7-9. The Mannich reaction of these compounds with formaldehyde and morpholine yielded ethyl 3-(morpholinomethyl)-substituted-1H-indole-2- carboxylates 10-12. The 5,7-dichloro-1H-indole-2-carbohydrazide 13 was cyclized with methyl orthoformate in DMF to give 6,8-dichloro[1,2,4]triazino[4,5-a]indol- 1(2H)-one 14. Vilsmeier-Haack formylation of 7-9 gave ethyl 3-formyl- substituted-1H-indole-2-carboxylates 15-17 whose 2,2′-((5-chloro-2- (ethoxycarbonyl)-1H-indol-3-yl)methylene)bis-(sulfanediyl) diacetic acid 18 was prepared. The reaction of 15 and 16 with substituted anilines by conventional and microwave methods gave ethyl 3-(N-aryliminomethyl)-5-halo-1H-indole-2- carboxylates 19-29. In a cyclocondensation reaction of 19-25 with thiolactic acid or thioglycolic acid substituted indolylthiazolidinones 30-33 were prepared. Reaction of hydrazine hydrate with 15-17 did not give the respective hydrazones but directly led to the cyclized products substituted-3H- pyridazino[4,5-b]indol-4(5H)-ones 34-36, while a reaction with 2,4-dichlorophenylhydrazine yielded the uncyclized hydrazones. The chlorination of 35 and 36 with POCl3 gave pyridazino[ 4,5-b]indoles 39 and 40, respectively; reaction of the latter compounds with morpholine gave 4-(substituted-5H-pyridazino[4,5-b]indol-4-yl)morpholine 41 and 42. Mannich reaction of 34 with formaldehyde and N-ethylpiperazine gave 8-chloro-3-((4- ethylpiperazin-1-yl)methyl)-3H-pyridazino[ 4,5-b]indol-4(5H)-one 43. The microwave assistance of selected reactions has a profound effect on the reaction speed. The structures of the new compounds were confirmed by both analytical and spectral data. Some compounds were subjected to investigations concerning their antimicrobial, tranquilizing, and anticonvulsant activities.

Synthesis of Substituted 3-Amino-4-cyano-1-oxo-1,2,5,10-tetrahydroazepino[3,4-b]indoles

Troschuetz, Reinhard,Hoffmann, Armin

, p. 1431 - 1440 (2007/10/03)

The preparation of 3-amino- and 3-dialkylamino-4-cyanoazepino[3,4-b]indoles bearing substituents on the aromatic nucleus and N10 is outlined. Starting from suitable substituted ethyl 3-formylindole-2-carboxylates 2, condensation with malononitrile (3) and subsequent sodium borohydride-reduction yielded ethyl 3-(2,2-dicyanoethyl)indole-2-carboxyIates 5 and 19, respectively, which were cyclized in boiling alkoxides to 3-alkoxy-4-cyanoazepino[3,4-b]indoles 10,11,20 and 21. This sequence constitutes a novel and flexible route to functional azepino[3,4-b]indoles. The aminolysis of 10,11,20 and 21 with different amines and ammonia yielded the title compounds which were screened for their possible biological activity.

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