ethyl 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetate

Base Information

• Chemical Name: ethyl 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetate
• CAS No.: 14771-33-6
• Molecular Formula: C13H13 N O4
• Molecular Weight: 247.251
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID40376913
• Wikidata: Q82165838
• Mol file: 14771-33-6.mol

Synonyms:ethyl 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetate;14771-33-6;Ethyl 2-(5-Methoxy-3-indolyl)-2-oxoacetate;Ethyl (5-Methoxy-1H-indol-3-yl)(oxo)acetate;MFCD06200915;5-Methoxy-3-indoleglyoxylic acid ethyl ester;SCHEMBL13727294;AMY6523;DTXSID40376913;KAVIIWPDSFYACO-UHFFFAOYSA-N;AKOS005069332;SY058556;Ethyl (5-methoxy-1H-indol-3-yl)oxoacetate;CS-0313697;FT-0679975;A898443;10X-5059;J-520631;(5-methoxy-1h-indol-3-yl)oxoacetic acid ethyl ester;5-methoxy-(1H-Indol-3-yl)-oxo-acetic acid ethyl ester;ETHYL2-(5-METHOXY-1H-INDOL-3-YL)-2-OXOACETATE;ethyl 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetate, AldrichCPR

Chemical Property of ethyl 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetate

Chemical Property:

• Vapor Pressure: 1.75E-07mmHg at 25°C
• Melting Point: 218-220°C
• Boiling Point: 426.6°C at 760 mmHg
• PKA: 14.28±0.30(Predicted)
• Flash Point: 211.8°C
• PSA: 68.39000
• Density: 1.275g/cm³
• LogP: 1.92230
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 247.08445790
• Heavy Atom Count: 18
• Complexity: 331

Purity/Quality:

99%, ^*data from raw suppliers

5-Methoxy-3-indoleglyoxylicAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=O)C1=CNC2=C1C=C(C=C2)OC

Technology Process of ethyl 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetate

There total 4 articles about ethyl 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetate 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:

ethanol (64-17-5) + (5-methoxy-1H-indol-3-yl)oxoacetyl chloride (2426-19-9) → ethyl 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetate (14771-33-6)

Guidance literature:

With triethylamine; at 0 - 20 ℃; for 1h;

Reference yield:

ethanol (64-17-5) + C11H8ClNO3*ClH → ethyl 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetate (14771-33-6)

Guidance literature:

With triethylamine; at 20 ℃; for 12h;

DOI:10.1016/j.ejmech.2012.06.012

Reference yield:

5-methoxylindole (1006-94-6) → ethyl 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetate (14771-33-6)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether / 4 h / 20 °C / Inert atmosphere

2: triethylamine / 12 h / 20 °C

With triethylamine; In diethyl ether;

DOI:10.1016/j.ejmech.2012.06.012

upstream raw materials:

5-methoxylindole

ethanol

(5-methoxy-1H-indol-3-yl)oxoacetyl chloride

Downstream raw materials:

5-methoxytryptophol

3-(2-bromoethyl)-5-methoxy indole

5-m-tolyl-oxazole-4-carboxylic acid {1-[2-(5-methoxy-1H-indol-3-yl)-ethyl]-1H-pyrazol-4-yl}-amide

C₂₅H₂₉NO₇

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