Ethyl 2-amino-7-isopropyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylate

Base Information

• Chemical Name: Ethyl 2-amino-7-isopropyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylate
• CAS No.: 68301-99-5
• Molecular Formula: C18H18N2O4
• Molecular Weight: 326.352
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70511476
• Nikkaji Number: J134.946E
• Wikidata: Q72472430
• Mol file: 68301-99-5.mol

Synonyms:68301-99-5;Ethyl 2-amino-7-isopropyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylate;Ethyl 2-amino-7-isopropyl-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylate;ethyl 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylate;MFCD07367835;Ethyl 2-amino-5-oxo-7-(propan-2-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylate;Ethyl2-amino-7-isopropyl-5-oxo-5H-[1]-benzopyrano-[2,3-b]pyridine-3-carboxylate;SCHEMBL17548698;DTXSID70511476;WLZ3531;BDBM357920;BCP10756;US10214536, Compound 287;AKOS015900497;AC-2052;DS-3687;SY103250;CS-0151809;FT-0645356;A24906;D82456;Ethyl2-amino-7-isopropyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylate;E0P

Chemical Property of Ethyl 2-amino-7-isopropyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylate

Chemical Property:

• Vapor Pressure: 2.94E-11mmHg at 25°C
• Melting Point: 243-244 °C
• Refractive Index: 1.614
• Boiling Point: 528.54 °C at 760 mmHg
• PKA: -0.16±0.20(Predicted)
• Flash Point: 273.452 °C
• PSA: 95.42000
• Density: 1.287 g/cm³
• LogP: 3.80470
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 326.12665706
• Heavy Atom Count: 24
• Complexity: 495

Purity/Quality:

99% ^*data from raw suppliers

Ethyl2-amino-7-isopropyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(N=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(C)C)N

Technology Process of Ethyl 2-amino-7-isopropyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylate

There total 5 articles about Ethyl 2-amino-7-isopropyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylate 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%

6-isopropyl-4-oxo-4H-1-benzopyran-3-carbonitrile (50743-32-3) + ethyl 2-cyanoacetate (105-56-6) → ethyl 2-amino-7-isopropyl-5-oxo-5H-<1>benzopyrano<2,3-b>pyridine-3-carboxylate (68301-99-5)

Guidance literature:

With piperidine; In ethanol; for 5h; Heating;

DOI:10.1021/jm50001a005

Reference yield:

ethanol (64-17-5) + amlexanox (68302-57-8) → ethyl 2-amino-7-isopropyl-5-oxo-5H-<1>benzopyrano<2,3-b>pyridine-3-carboxylate (68301-99-5)

Guidance literature:

With sulfuric acid; for 60h; Reflux;

Reference yield:

ethanol (64-17-5) + 2-amino-7-isopropyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carbonyl chloride → ethyl 2-amino-7-isopropyl-5-oxo-5H-<1>benzopyrano<2,3-b>pyridine-3-carboxylate (68301-99-5)

Guidance literature:

for 1h; Reflux;

DOI:10.1124/mol.118.112185

upstream raw materials:

6-isopropyl-4-oxo-4H-1-benzopyran-3-carbonitrile

ethyl 2-cyanoacetate

amlexanox

ethanol

Downstream raw materials:

amlexanox