98081-84-6

Basic information

• Product Name: 6-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER
• Synonyms: 6-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER;AKOS JY2082773;ETHYL 6-CHLORO-1H-INDOLE-2-CARBOXYLATE;METHYL 6-CHLORO-1H-INDOLE-2-CARBOXYLATE;6-Chloro-2-indolecarboxylic acid methyl ester;6-Chloroindole-2-carboxylic acid methyl ester;6-Chloro-1H-indole-2-carboxylic acid methyl ester≥ 98.5% (HPLC)
• CAS NO: 98081-84-6
• Molecular Formula: C₁₀H₈ClNO₂
• Molecular Weight: 209.63
• Product Categories: pharmacetical
• Mol File: 98081-84-6.mol
• Article Data: 19

Chemical Properties

• Boiling Point: 365.5 °C at 760 mmHg
• Flash Point: 174.8 °C
• Appearance: /
• Density: 1.382 g/cm³
• Vapor Pressure: 1.56E-05mmHg at 25°C
• Refractive Index: 1.647
• Storage Temp.: 2-8°C(protect from light)
• CAS DataBase Reference: 6-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 6-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER(98081-84-6)
• EPA Substance Registry System: 6-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER(98081-84-6)

Safety Data

• Hazardous Substances Data: 98081-84-6(Hazardous Substances Data)

Usage

Chemical Properties

Yellow to orange solid

InChI:InChI=1/C10H8ClNO2/c1-14-10(13)9-4-6-2-3-7(11)5-8(6)12-9/h2-5,12H,1H3

Upstream product

• 102244-86-0 (Z)-methyl 2-azido-3-(4-chlorophenyl)acrylate 
• 67-56-1 methanol 
• 16732-75-5 6-chloro-1H-indole-2-carboxylic acid 
• 18107-18-1 diazomethyl-trimethyl-silane 
• 104-88-1 4-chlorobenzaldehyde 
• 126690-10-6 (3-chloro-phenylamino)-acetic acid methyl ester 
• 108-42-9 3-chloro-aniline 
• 98081-76-6 C₁₀H₈ClN₃O₂ 
• 1586740-57-9 (Z)-methyl 3-(2-amino-4-chlorophenyl)-2-bromoacrylate 
• 1586740-46-6 (Z)-methyl 2-bromo-3-(4-chloro-2-nitrophenyl)acrylate 
• 5551-11-1 4-Chloro-2-nitrobenzaldehyde 
• 1609930-28-0 C₁₀H₁₁ClN₂O₂ 
• 2312-23-4 m-chlorophenylhydrazine hydrochloride 
• 57427-81-3 4-(2,4-dichloro-benzylidene)-2-phenyl-4H-oxazol-5-one 

Downstream Products

• 20948-68-9 6-chloro-indole-2-carboxylic acid hydrazide 
• 287384-60-5 methyl 6-chloro-1-(cyanomethyl)-indole-2-carboxylate 
• 1584221-42-0 C₁₇H₁₄ClNO₂ 
• 1584221-43-1 C₁₆H₁₄ClNO 
• 1584221-45-3 C₁₆H₁₂ClNO 
• 1584221-46-4 C₂₃H₁₉ClN₂O₂S 
• 1584221-47-5 C₂₃H₂₁ClN₂O₂S 
• 1529806-92-5 9-benzyl-7-chloro-4'-methyl-1',2-ditosyl-1,1',2,3,5',9-hexa-hydrospiro[pyrido[3,4-b]indole-4,2'-pyrrole] 
• 1529806-73-2 N-((1-benzyl-6-chloro-1H-indol-2-yl)methyl)-4-methyl-N-(3-(2-methyl-1-tosylaziridin-2-yl)-prop-2-ynyl)benzenesulfonamide 
• 1584144-61-5 N-(4-(dimethylamino)phenethyl)-3-ethyl-6-chloro-1H-indole-2-carboxamide 
• 53590-59-3 6-chloro-1H-indole-2-carbaldehyde 
• 53590-58-2 (6-chloro-1H-indol-2-yl)methanol 

Relevant articles and documents

Divergent synthesis of indole-2-carboxylic acid derivatives via ligand-free copper-catalyzed ullmann coupling reaction

— This article describes a ligand-free copper-catalyzed Ullmami coupling reaction for the preparation of divergent indole-2-carboxylic acid derivatives including esters, amides and anhydrides. Various compounds 3, which could be synthesized from aldehydes conveniently, were used as substrate to provide the corresponding indole-2-carboxylic acid derivatives in moderate to good vields.

A Bu4N[Fe(CO)3(NO)]-Catalyzed Hemetsberger–Knittel Indole Synthesis

The nucleophilic Fe complex Bu4N[Fe(CO)3(NO)] (TBA[Fe]) catalyzes the direct intramolecular amination of aryl vinyl azides to give the corresponding indole derivatives in good to excellent yields.

Design, synthesis, and biological evaluation of novel trifluoromethyl indoles as potent HIV-1 NNRTIs with an improved drug resistance profile

A novel series of trifluoromethyl indole derivatives have been designed, synthesized and evaluated for anti-HIV-1 activities in MT-2 cells. The hydrophobic constant, acute toxicity, carcinogenicity and mutagenicity were predicted. Trifluoromethyl indoles 10i and 10k showed extremely promising activities against WT HIV-1 with IC50 values at the low nanomolar level, similar to efavirenz, better than nevirapine, and also possessed higher potency towards the drug-resistant mutant strain Y181C than nevirapine. Preliminary SAR and docking studies of detailed binding mode provided some insights for discovery of more potent NNRTIs. the Partner Organisations 2014.