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

Base Information

• Chemical Name: ethyl 5-amino-1-(2-fluorobenzyl)-1H-pyrazole-3-carboxylate
• CAS No.: 256504-39-9
• Molecular Formula: C13H14FN3O2
• Molecular Weight: 263.271
• Hs Code.: 2933199090
• European Community (EC) Number: 805-733-7
• UNII: 33DJ5CLR94
• DSSTox Substance ID: DTXSID701165496
• Nikkaji Number: J1.500.680C
• Mol file: 256504-39-9.mol

Synonyms:ethyl 5-amino-1-(2-fluorobenzyl)-1H-pyrazole-3-carboxylate;256504-39-9;Ethyl 5-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylate;ethyl 5-amino-1-[(2-fluorophenyl)methyl]-1H-pyrazole-3-carboxylate;ethyl 5-amino-1-((2-fluorophenyl)methyl)-1h-pyrazole-3-carboxylate;DVWGQBBJLJWPKJ-UHFFFAOYSA-N;SCHEMBL175092;33DJ5CLR94;DTXSID701165496;AKOS022186223;GS-6780;CS-0085347;H11508;A925087;Ethyl 5-amino-1-(2-fluorobenzyl)-pyrazole-3-carboxylate;Ethyl 5-amino-1-(2-fluorobenzyl)pyrazol-3-carboxylate;ethyl 5-amino-1-(2-fluorobenzyl)pyrazole-3-carboxylate;ethyl5-amino-1-(2-fluorobenzyl)-1H-pyrazole-3-carboxylate;ethyl-5-amino-1-(2-fluorobenzyl)-1H-pyrazole-3-carboxylate;5-Amino-1-(2-fluoro-benzyl)-1H-pyrazole-3-carboxylic acid ethyl ester;1H-Pyrazole-3-carboxylic acid, 5-amino-1-[(2-fluorophenyl)methyl]-, ethyl ester

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

Chemical Property:

• Vapor Pressure: 0Pa at 20℃
• Boiling Point: 451.9±40.0 °C(Predicted)
• PKA: 1.50±0.10(Predicted)
• PSA: 70.14000
• Density: 1.29±0.1 g/cm3(Predicted)
• LogP: 2.41060
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 263.10700486
• Heavy Atom Count: 19
• Complexity: 316

Purity/Quality:

99.9% ^*data from raw suppliers

Ethyl5-Amino-1-(2-fluorobenzyl)-1H-pyrazole-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=NN(C(=C1)N)CC2=CC=CC=C2F
• Uses: Ethyl 5-Amino-1-(2-fluorobenzyl)-1H-pyrazole-3-carboxylate is used in various studies of stimulators of soluble guanylate cyclase.

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

There total 7 articles about ethyl 5-amino-1-(2-fluorobenzyl)-1H-pyrazole-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:

(2-fluorobenzyl)hydrazine (51859-98-4) + sodium 1-cyano-3-ethoxy-3-oxoprop-1-en-2-olate → ethyl 5-amino-1-(2-fluorobenzyl)-1H-pyrazole-3-carboxylate (256504-39-9)

Guidance literature:

With trifluoroacetic acid; In 1,4-dioxane; for 8h; Heating;

DOI:10.1016/S0960-894X(01)00073-7 DOI:10.1016/S0968-0896(02)00034-2

Reference yield:

(2-fluorobenzyl)hydrazine (51859-98-4) → ethyl 5-amino-1-(2-fluorobenzyl)-1H-pyrazole-3-carboxylate (256504-39-9)

Guidance literature:

With trifluoroacetic acid; In 1,4-dioxane; at 20 ℃; for 0.166667h;

(2-fluorobenzyl)hydrazine; In 1,4-dioxane; Heating / reflux;

Reference yield:

sodium salt of ethyl cyanopyruvate + (2-fluorobenzyl)hydrazine (51859-98-4) → ethyl 5-amino-1-(2-fluorobenzyl)-1H-pyrazole-3-carboxylate (256504-39-9)

Guidance literature:

With trifluoroacetic acid; In 1,4-dioxane;

upstream raw materials:

(2-fluorobenzyl)hydrazine

sodium salt of ethyl cyanopyruvate

2-fluorobenzyl chloride

(2-fluorobenzyl)hydrazine hydrochloride salt

Downstream raw materials:

2-[5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-7-(2,2,2-trifluoro ethyl)-7,9-dihydro-8H-purin-8-one

2-[5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-6-iodo-7-(2,2,2-trifluoro ethyl)-7,9-dihydro-8H-purin-8-one

6-amino-2-[5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-7-(2,2,2-trifluoroethyl)-7,9-dihydro-8H-purin-8-one

2-[5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidine-4,5-diamine