Ethyl 2-(6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl)acetate

Base Information

• Chemical Name: Ethyl 2-(6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl)acetate
• CAS No.: 193979-48-5
• Molecular Formula: C17H14Cl2N2O2
• Molecular Weight: 349.216
• DSSTox Substance ID: DTXSID101169707
• Nikkaji Number: J879.019A
• ChEMBL ID: CHEMBL322388
• Mol file: 193979-48-5.mol

Synonyms:ethyl 2-(6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl)acetate;193979-48-5;CHEMBL322388;ethyl 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate;Imidazo[1,2-a]pyridine-3-acetic acid, 6-chloro-2-(4-chlorophenyl)-, ethyl ester;SCHEMBL23624072;DTXSID101169707;BDBM50060087;Ethyl 6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-3-acetate;[6-Chloro-2-(4-chloro-phenyl)-imidazo[1,2-a]pyridin-3-yl]-acetic acid ethyl ester;2-(4-Chlorophenyl)-6-chloroimidazo[1,2-a]pyridine-3-acetic acid ethyl ester

Chemical Property of Ethyl 2-(6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl)acetate

Chemical Property:

• PKA: 4.33±0.50(Predicted)
• PSA: 43.60000
• Density: 1.35±0.1 g/cm3(Predicted)
• LogP: 4.41370
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 348.0432331
• Heavy Atom Count: 23
• Complexity: 415

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CC1=C(N=C2N1C=C(C=C2)Cl)C3=CC=C(C=C3)Cl

Technology Process of Ethyl 2-(6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl)acetate

There total 16 articles about Ethyl 2-(6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]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: 95.0%

C12H8Cl2N2 (329937-06-6) + propynoic acid ethyl ester (623-47-2) → ethyl 2-(6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl)acetate (193979-48-5)

Guidance literature:

With copper(II) acetate monohydrate; In toluene; at 120 ℃; for 2h; Reagent/catalyst; Solvent; Temperature; Time; Concentration; Catalytic behavior; Sealed tube; Molecular sieve;

DOI:10.1021/acs.joc.5b02102

Reference yield: 92.0%

5-chloro-2-pyridylamine (1072-98-6) + C14H14ClNO6 (1381932-40-6) → ethyl 2-(6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl)acetate (193979-48-5)

Guidance literature:

In methanol; at 30 ℃; for 0.333333h; regioselective reaction;

DOI:10.1021/ol3020418

Reference yield: 82.0%

ethanol (64-17-5) + 2-(6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl)acetonitrile (82626-72-0) → ethyl 2-(6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl)acetate (193979-48-5)

Guidance literature:

With sulfuric acid; water; at 90 ℃; for 12h;

DOI:10.1021/acs.joc.7b00750

upstream raw materials:

5-chloro-2-pyridylamine

3-bromo-4-(4-chloro-phenyl)-4-oxo-butyric acid ethyl ester

butan-1-ol

ethyl 4-(4-chlorophenyl)-4-oxobutanoate

Downstream raw materials:

2-(6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl)acetic acid

2-(6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl)-N,N-dimethylacetamide

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