ethyl 4-chloro-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

Base Information

Chemical Name:ethyl 4-chloro-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CAS No.:866040-20-2
Molecular Formula:C₁₇H₁₆ClN₃O₂
Molecular Weight:329.786
Hs Code.:
DSSTox Substance ID:DTXSID601331577
ChEMBL ID:CHEMBL1728813

Synonyms:ethyl 4-chloro-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate;866040-20-2;ethyl 4-chloro-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxylate;MLS001166025;CHEMBL1728813;SCHEMBL20418859;DTXSID601331577;HMS2871N16;AKOS005094422;SMR000550288;5W-0344;SR-01000306861;SR-01000306861-1;ethyl4-chloro-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

Suppliers and Price of ethyl 4-chloro-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of ethyl 4-chloro-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

Chemical Property:

XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:329.0931045
Heavy Atom Count:23
Complexity:428

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C1=CN=C2C(=C1Cl)C(=NN2C3=CC=C(C=C3)C)C

Technology Process of ethyl 4-chloro-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

There total 4 articles about ethyl 4-chloro-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-5-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:

: 62535-60-8
5-amino-3-methyl-1-p-tolylpyrazole

: 87-13-8
diethyl 2-ethoxymethylenemalonate

: 866040-20-2
4-chloro-3-methyl-1-p-tolyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester

Guidance literature:: 5-amino-3-methyl-1-p-tolylpyrazole; diethyl 2-ethoxymethylenemalonate; at 160 ℃; for 5h;

With thionyl chloride;
DOI:10.1016/j.bmcl.2010.01.133

Reference yield:

: 956574-51-9
2-[(5-methyl-2-p-tolyl-2H-pyrazol-3-ylamino)-methylene]-malonic acid diethyl ester

: 866040-20-2
4-chloro-3-methyl-1-p-tolyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester

Guidance literature:: With trichlorophosphate; at 120 ℃;
DOI:10.1248/cpb.52.1098

Reference yield:

: 62535-60-8
5-amino-3-methyl-1-p-tolylpyrazole

: 866040-20-2
4-chloro-3-methyl-1-p-tolyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 120 °C

2: POCl₃ / 120 °C

With trichlorophosphate; 1: Michael addition;
DOI:10.1248/cpb.52.1098