ethyl 2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate

Base Information

• Chemical Name: ethyl 2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate
• CAS No.: 626604-80-6
• Molecular Formula: C11H10N2O3
• Molecular Weight: 218.21
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30420737
• Mol file: 626604-80-6.mol

Synonyms:626604-80-6;ethyl 2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate;1H-PYRROLO[2,3-B]PYRIDINE-3-ACETIC ACID, A-OXO-, ETHYL ESTER;Oxo-(1H-pyrrolo[2,3-b]pyridin-3-yl)-acetic acid ethyl ester;Ethyl 2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-acetate;ethyl 2-oxo-2-{1H-pyrrolo[2,3-b]pyridin-3-yl}acetate;SCHEMBL367606;DTXSID30420737;CCFIFACOXYODQN-UHFFFAOYSA-N;BAB60480;MFCD05256119;AKOS005069309;SB37998;CS-0002376;FT-0679962;A868408;Ethyl oxo(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate;SR-01000307054;10W-0332;J-520782;SR-01000307054-1;ethyl2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate;1H-Pyrrolo[2,3-b]pyridine-3-acetic acid,a-oxo-,ethyl ester;1H-pyrrolo[2,3-b]pyridine-3-acetic acid, a-oxo-, ethyl ester, AldrichCPR

Chemical Property of ethyl 2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate

Chemical Property:

• Vapor Pressure: 8.7E-07mmHg at 25°C
• Refractive Index: 1.625
• Boiling Point: 405.5°C at 760 mmHg
• PKA: 11.46±0.40(Predicted)
• Flash Point: 199.1°C
• PSA: 72.05000
• Density: 1.337g/cm³
• LogP: 1.30870
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 218.06914219
• Heavy Atom Count: 16
• Complexity: 293

Purity/Quality:

97% ^*data from raw suppliers

ethyl2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=O)C1=CNC2=C1C=CC=N2

Technology Process of ethyl 2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate

There total 3 articles about ethyl 2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate 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: 53.0%

7-Azaindole (271-63-6) + Ethyl oxalyl chloride (4755-77-5) → oxo-(1H-pyrrolo[2,3-b]pyridin-3-yl)-acetic acid ethyl ester (626604-80-6)

Guidance literature:

7-Azaindole; With aluminum (III) chloride; In dichloromethane; at 20 ℃; for 0.5h;

Ethyl oxalyl chloride; In dichloromethane; at 20 ℃; for 0.333333h;

DOI:10.3390/ph10030062

Reference yield: 23.0%

7-Azaindole (271-63-6) + oxalic acid diethyl ester (95-92-1) → oxo-(1H-pyrrolo[2,3-b]pyridin-3-yl)-acetic acid ethyl ester (626604-80-6)

Guidance literature:

With ethylmagnesium bromide; In tetrahydrofuran; at 70 ℃; for 1.5h;

DOI:10.1016/j.bmc.2004.04.010

Reference yield:

→ oxo-(1H-pyrrolo[2,3-b]pyridin-3-yl)-acetic acid ethyl ester (626604-80-6)

Guidance literature:

With diethylaluminium chloride; In hexane; dichloromethane; at 0 ℃; for 0.5h; Cooling with ice;

In hexane; dichloromethane; at 0 ℃; for 2h;

upstream raw materials:

7-Azaindole

oxalic acid diethyl ester

Ethyl oxalyl chloride

Downstream raw materials:

(1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid

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