Methyl 7-fluoro-1H-indole-5-carboxylate

Base Information

• Chemical Name: Methyl 7-fluoro-1H-indole-5-carboxylate
• CAS No.: 256935-98-5
• Molecular Formula: C₁₀H₈FNO₂
• Molecular Weight: 193.177
• Hs Code.: 2933998090
• Mol file: 256935-98-5.mol

Synonyms:Methyl 7-fluoro-1H-indole-5-carboxylate;1H-INDOLE-5-CARBOXYLIC ACID, 7-FLUORO-, METHYL ESTER

Chemical Property of Methyl 7-fluoro-1H-indole-5-carboxylate

Chemical Property:

• Boiling Point: 343.7±27.0 °C(Predicted)
• PKA: 14.63±0.30(Predicted)
• PSA: 42.09000
• Density: 1.341±0.06 g/cm3(Predicted)
• LogP: 2.09360
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

1H-INDOLE-5-CARBOXYLICACID,7-FLUORO-,METHYLESTER 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Methyl 7-fluoro-1H-indole-5-carboxylate

There total 4 articles about Methyl 7-fluoro-1H-indole-5-carboxylate 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: 84.0%

methanol (67-56-1) + carbon monoxide (201230-82-2) + trifluoromethanesulfonic acid 7-fluoroindol-5-yl ester (256935-96-3) → 5-methoxycarbonyl-7-fluoro-1H-indole (256935-98-5)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; triethylamine; at 120 ℃; for 20h; under 23272.3 Torr;

DOI:10.1021/jm010523x

Reference yield:

PdCl2(dppf)2 + trifluoromethanesulfonic acid 7-fluoroindol-5-yl ester (256935-96-3) → 5-methoxycarbonyl-7-fluoro-1H-indole (256935-98-5)

Guidance literature:

With triethylamine; In methanol; ethyl acetate;

Reference yield:

3-fluoro-4-nitrophenol (394-41-2) → 5-methoxycarbonyl-7-fluoro-1H-indole (256935-98-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 98 percent / Et₃N / CH₂Cl₂ / 3 h / 20 °C

2: 29 percent / tetrahydrofuran / 2 h / -40 °C

3: 84 percent / Pd(dppf)Cl₂; Et₃N / 20 h / 120 °C / 23272.3 Torr

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; triethylamine; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm010523x

upstream raw materials:

methanol

carbon monoxide

trifluoromethanesulfonic acid 7-fluoroindol-5-yl ester

3-fluoro-4-nitrophenol

Downstream raw materials:

7-fluoroindole-5-carboxylic acid

5-formyl-7-fluoroindole

5-hydroxymethyl-7-fluoroindole

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