2-(2-Methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate

Base Information

• Chemical Name: 2-(2-Methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
• CAS No.: 7546-52-3
• Molecular Formula: C11H12N2O2
• Molecular Weight: 204.228
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30703698
• Mol file: 7546-52-3.mol

Synonyms:2-(2-Methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate;DTXSID30703698

Chemical Property of 2-(2-Methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate

Chemical Property:

• Boiling Point: 415.0±37.0 °C(Predicted)
• PKA: 7.15±0.40(Predicted)
• PSA: 65.98000
• Density: 1.24±0.1 g/cm3(Predicted)
• LogP: 2.05940
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 203.082052598
• Heavy Atom Count: 15
• Complexity: 252

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-(2-methyl-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: CC1=C(C2=C(N1)N=CC=C2)C(C)C(=O)[O-]
• Uses: Methyl 2-(2-methyl-1h-pyrrolo[2,3-b]pyridin-3-yl)acetate is used as a reagent in the preparation of Fevipiprant, a Potent and Selective DP2 Receptor Antagonist for Treatment of Asthma.

Technology Process of 2-(2-Methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate

There total 2 articles about 2-(2-Methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate 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: 33.0%

2-methyl-1H-pyrrolo[2,3-b]pyridine (23612-48-8) + bromoacetic acid methyl ester (96-32-2) → (2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid methyl ester (7546-52-3)

Guidance literature:

2-methyl-1H-pyrrolo[2,3-b]pyridine; With n-butyllithium; zinc(II) chloride; In tetrahydrofuran; at 0 ℃;

bromoacetic acid methyl ester; In toluene; at 95 ℃;

DOI:10.1016/j.bmcl.2009.06.042

Reference yield:

2-methyl-1H-pyrrolo[2,3-b]pyridine (23612-48-8) → (2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid methyl ester (7546-52-3)

Guidance literature:

Multi-step reaction with 4 steps

1: butan-1-ol / Reflux

2: hydrogenchloride / water / Reflux

3: hydrogenchloride / water

4: sulfuric acid

With hydrogenchloride; sulfuric acid; In water; butan-1-ol; 1: |Mannich Aminomethylation;

DOI:10.1358/dof.2018.043.08.2832262

Reference yield: 85.0%

(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid methyl ester (7546-52-3) + 1-(bromomethyl)-4-(trifluoromethylsulfonyl)benzene (118089-89-7) → [2-methyl-1-(4-trifluoromethanesulfonylbenzyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetic acid methyl ester

Guidance literature:

(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid methyl ester; With sodium hydride; In mineral oil; at 0 ℃; for 1h;

1-(bromomethyl)-4-(trifluoromethylsulfonyl)benzene; With sodium iodide; In mineral oil; at 20 ℃;

DOI:10.1016/j.bmc.2013.08.025

upstream raw materials:

2-methyl-1H-pyrrolo[2,3-b]pyridine

bromoacetic acid methyl ester

Downstream raw materials:

[1-(3,4-dichloro-benzenesulfonyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-acetic acid methyl ester

[1-(3-cyano-4-fluoro-benzenesulfonyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-acetic acid methyl ester

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