3-formyl-1H-Indole-4-carboxylic acid methyl ester

Base Information

• Chemical Name: 3-formyl-1H-Indole-4-carboxylic acid methyl ester
• CAS No.: 53462-88-7
• Molecular Formula: C11H8NO3
• Molecular Weight: 203.197
• Hs Code.: 2933990090
• Mol file: 53462-88-7.mol

Synonyms:Methyl3-formylindole-4-carboxylate;Methyl 3-formylindole-4-carboxylate;

Chemical Property of 3-formyl-1H-Indole-4-carboxylic acid methyl ester

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 134-135 °C(Solv: benzene (71-43-2))
• Refractive Index: 1.677
• Boiling Point: 404.415 °C at 760 mmHg
• PKA: 14.30±0.30(Predicted)
• Flash Point: 198.383 °C
• PSA: 59.16000
• Density: 1.342 g/cm³
• LogP: 1.76700
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C

Purity/Quality:

98%min ^*data from raw suppliers

Methyl3-formylindole-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-formyl-1H-Indole-4-carboxylic acid methyl ester

There total 10 articles about 3-formyl-1H-Indole-4-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: 95.0%

methyl 1H-indole-4-carboxylate (39830-66-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 3-Formylindole-4-carboxylic acid methyl ester (53462-88-7)

Guidance literature:

N,N-dimethyl-formamide; With oxalyl dichloride; In dichloromethane; at 0 ℃; for 0.5h; Inert atmosphere;

methyl 1H-indole-4-carboxylate; In dichloromethane; at 20 ℃; for 1h;

Reference yield: 54.0%

methyl 1H-indole-4-carboxylate (39830-66-5) + N-methyl-N-phenylformamide (93-61-8) → 3-Formylindole-4-carboxylic acid methyl ester (53462-88-7)

Guidance literature:

With trichlorophosphate;

Reference yield: 54.0%

methanol (67-56-1) + (3-formylindol-4-yl)thallium (III) bistrifluoroacetate (141692-10-6) → 3-Formylindole-4-carboxylic acid methyl ester (53462-88-7)

Guidance literature:

With palladium diacetate;

upstream raw materials:

methanol

(3-formylindol-4-yl)thallium (III) bistrifluoroacetate

methyl 1H-indole-4-carboxylate

N,N-dimethyl-formamide

Downstream raw materials:

methyl 1-(5-chloro-2-((4-chloro-2-fluorobenzyl)oxy)benzyl)-3-formyl-1H-indole-4-carboxylate

(E)-methyl 1-(5-chloro-2-((4-chloro-2-fluorobenzyl)oxy)benzyl)-3-(3-ethoxy-3-oxoprop-1-en-1-yl)-1H-indole-4-carboxylate

sodium 1-(5-chloro-2-((4-chloro-2-fluorobenzyl)oxy)benzyl)-3-(2-hydroxyethyl)-1H-indole-4-carboxylate

1-(5-chloro-2-((4-chloro-2-fluorobenzyl)oxy)benzyl)-3,4-dihydrooxepino[5,4,3-cd]indol-6(1H)-one

Refernces

• 1、 -. "A class of compounds with inhibitory activity PARP, process for their preparation and use". Paragraph 0053-0057. . Retrieved 2016/12/07.
• 2、 -. "EP1 RECEPTOR LIGANDS". Page/Page column 82. . Retrieved 2013/03/28.