5-FLUORO-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER

Base Information

• Chemical Name: 5-FLUORO-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER
• CAS No.: 310886-79-4
• Molecular Formula: C₁₀H₈FNO₂
• Molecular Weight: 193.177
• Hs Code.: 2933990090
• Mol file: 310886-79-4.mol

Synonyms:5-Fluoro-1H-indole-3-carboxylicacid methyl ester;5-Fluoro-3-methoxycarbonyl-1H-indole;

Chemical Property of 5-FLUORO-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER

Chemical Property:

• Vapor Pressure: 0.000121mmHg at 25°C
• Melting Point: 200-202℃
• Refractive Index: 1.615
• Boiling Point: 335.3 °C at 760 mmHg
• Flash Point: 156.6 °C
• PSA: 42.09000
• Density: 1.341 g/cm³
• LogP: 2.09360
• Storage Temp.: 2-8°C

Purity/Quality:

99.3% ^*data from raw suppliers

Methyl5-fluoro-1H-indole-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-FLUORO-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER

There total 10 articles about 5-FLUORO-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 83.0%

methanol (67-56-1) + 5-fluoro-1H-indole (399-52-0) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → methyl 5-fluoro-1H-indole-3-carboxylate (310886-79-4)

Guidance literature:

5-fluoro-1H-indole; N,N-dimethyl-formamide; With trifluoroacetic anhydride; at 0 ℃; for 0.5h;

With sodium hydroxide; water; at 100 ℃; for 1h;

methanol; With hydrogenchloride; sulfuric acid; water; more than 3 stages;

Reference yield: 83.0%

methanol (67-56-1) + 5-fluoro-1H-indole-3-carboxylic acid (23077-43-2) → methyl 5-fluoro-1H-indole-3-carboxylate (310886-79-4)

Guidance literature:

sulfuric acid; Heating / reflux;

Reference yield: 64.0%

(Z)-methyl 3-((4-fluorophenyl)amino)acrylate (21880-95-5) → methyl 5-fluoro-1H-indole-3-carboxylate (310886-79-4)

Guidance literature:

With copper diacetate; potassium carbonate; palladium dichloride; In N,N-dimethyl-formamide; at 120 ℃; for 10h;

DOI:10.1021/jo402117r

upstream raw materials:

methanol

5-fluoro-1H-indole-3-carboxylic acid

5-fluoro-1H-indole

trifluoroacetyl chloride

Downstream raw materials:

5-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

Refernces

• 1、 -. "PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS". Page/Page column 46; 62-63. . Retrieved 2009/05/28.
• 2、 Fulloon, Belinda E.,Wentrup, Curt. "Fluoroquinolones from imidoylketenes and iminopropadienones, RN≤C≤C≤C≤O". experimental part. p. 115 - 120. Retrieved 2009/08/15.