Ethyl 1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxylate

Base Information

• Chemical Name: Ethyl 1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxylate
• CAS No.: 256376-59-7
• Molecular Formula: C16H14FN3O2
• Molecular Weight: 299.304
• European Community (EC) Number: 854-307-7
• Nikkaji Number: J1.500.681A
• Mol file: 256376-59-7.mol

Synonyms:256376-59-7;Ethyl 1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxylate;1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid ethyl ester;ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carboxylate;SCHEMBL2883538;Ethyl 1-(2-Fluorobenzyl)pyrazolo[3,4-b]pyridine-3-carboxylate;MFCD20268230;AKOS022898394;GS-6061;F11919;A877529;Ethyl 1-(2-fluorobenzyl)-1H-pyrazolo [3,4-b]pyridine-3-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-3-carboxylate

Chemical Property of Ethyl 1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxylate

Chemical Property:

• Melting Point: 88-90°C
• PSA: 57.01000
• LogP: 2.79540
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Very Silghtly)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 299.10700486
• Heavy Atom Count: 22
• Complexity: 396

Purity/Quality:

99.9% ^*data from raw suppliers

1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxylicAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=NN(C2=C1C=CC=N2)CC3=CC=CC=C3F
• Uses: 1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxylic Acid Ethyl Ester is used in various studies of stimulators of soluble guanylate cyclase.

Technology Process of Ethyl 1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxylate

There total 11 articles about Ethyl 1-(2-fluorobenzyl)-1H-pyrazolo[3,4-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: 81.7%

malonaldehydebis(dimethylacetal) (102-52-3) + ethyl 5-amino-1-(2-fluorobenzyl)-1H-pyrazole-3-carboxylate (256504-39-9) → ethyl 1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxylate (256376-59-7)

Guidance literature:

With trifluoroacetic acid; In ethylbenzene; for 3h; Solvent; Reagent/catalyst; Reflux;

Reference yield: 49.9%

3-N,N-dimethylamino-acrolein + ethyl 5-amino-1-(2-fluorobenzyl)-1H-pyrazole-3-carboxylate (256504-39-9) → ethyl 1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxylate (256376-59-7)

Guidance literature:

With trifluoroacetic acid; for 72h; Heating / reflux;

Reference yield:

(E)-3-(dimethylamino)acrolein (927-63-9,692-32-0) + ethyl 5-amino-1-(2-fluorobenzyl)-1H-pyrazole-3-carboxylate (256504-39-9) → ethyl 1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxylate (256376-59-7)

Guidance literature:

With trifluoroacetic acid; for 72h; Heating / reflux;

upstream raw materials:

ethyl 5-amino-1-(2-fluorobenzyl)-1H-pyrazole-3-carboxylate

3-dimethylaminoacrolein

(2-fluorobenzyl)hydrazine

(E)-3-(dimethylamino)acrolein

Downstream raw materials:

1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide

1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile

methyl 1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carbimidate

please input 1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-formamidine