Methyl 7-azaindole-3-glyoxylate

Base Information

• Chemical Name: Methyl 7-azaindole-3-glyoxylate
• CAS No.: 357263-49-1
• Molecular Formula: C10H8N2O3
• Molecular Weight: 204.18
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50421746
• Nikkaji Number: J1.795.612D
• Mol file: 357263-49-1.mol

Synonyms:3-(6,11-dihydrodibenz(b,e)oxepin-2-yl)-N-hydroxy-N-methylpropanamide;P 10294;P-10294;P10294

Chemical Property of Methyl 7-azaindole-3-glyoxylate

Chemical Property:

• Vapor Pressure: 1.41E-06mmHg at 25°C
• Melting Point: 165-168°C
• Refractive Index: 1.643
• Boiling Point: 399.1 °C at 760 mmHg
• PKA: 11.42±0.40(Predicted)
• Flash Point: 195.1 °C
• PSA: 72.05000
• Density: 1.392g/cm³
• LogP: 0.91860
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 204.05349212
• Heavy Atom Count: 15
• Complexity: 280

Purity/Quality:

97% ^*data from raw suppliers

Methyl7-Azaindole-3-glyoxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(=O)C1=CNC2=C1C=CC=N2
• Uses: An azaindole derivative as CRTH2 receptor antagonist.

Technology Process of Methyl 7-azaindole-3-glyoxylate

There total 5 articles about Methyl 7-azaindole-3-glyoxylate 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: 76.0%

monomethyl oxalyl chloride (5781-53-3) + 7-Azaindole (271-63-6) → methyl α-oxo-1H-pyrrolo[2,3-b]pyridine-3-acetate (357263-49-1)

Guidance literature:

With aluminium trichloride; In dichloromethane; at 20 ℃;

DOI:10.1021/jo020135i

Reference yield:

monomethyl oxalyl chloride (5781-53-3) → methyl α-oxo-1H-pyrrolo[2,3-b]pyridine-3-acetate (357263-49-1)

Guidance literature:

7-Azaindole; With aluminum (III) chloride; In dichloromethane; at 25 ℃; for 1h;

monomethyl oxalyl chloride; In dichloromethane; at 25 ℃; for 72h;

Reference yield:

7-Azaindole (271-63-6) → azaindole 3-glyoxylmethyl ester + methyl α-oxo-1H-pyrrolo[2,3-b]pyridine-3-acetate (357263-49-1)

Guidance literature:

In diethyl ether; dichloromethane;

upstream raw materials:

monomethyl oxalyl chloride

7-Azaindole

Downstream raw materials:

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

(3-{3-[4-(2-methoxy-phenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-pyrrolo[2,3-b]pyridin-1-yl}-propyl)-carbamic acid tert-butyl ester

methanesulfonic acid 3-{3-[4-(2-chloro-phenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-pyrrolo[2,3-b]pyridin-1-yl}-propyl ester