Ethyl 7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

Base Information

• Chemical Name: Ethyl 7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
• CAS No.: 438218-13-4
• Molecular Formula: C₁₇H₁₅F₂N₃O₂
• Molecular Weight: 331.322
• DSSTox Substance ID: DTXSID901132019
• Mol file: 438218-13-4.mol

Synonyms:438218-13-4;ethyl 7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;Ethyl 7-(difluoromethyl)-5-(4-methylphenyl)-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ETHYL 7-(DIFLUOROMETHYL)-5-(P-TOLYL)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLATE;HMS1618J16;7-Difluoromethyl-5-p-tolyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester;DTXSID901132019;BBL039612;MFCD03074470;STK348993;AKOS000307892;CCG-120738;SB85807;LS-03357;CS-0298894;EN300-228271;SR-01000301008;SR-01000301008-1;Ethyl7-(difluoromethyl)-5-(4-methylphenyl)-pyrazolo[1,5-a]pyrimidine-3-carboxylate

Chemical Property of Ethyl 7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 331.11323305
• Heavy Atom Count: 24
• Complexity: 444

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl 7-(difluoromethyl)-5-(4-methylphenyl)-pyrazolo[1,5-a]pyrimidine-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=C2N=C(C=C(N2N=C1)C(F)F)C3=CC=C(C=C3)C

Technology Process of Ethyl 7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

There total 3 articles about Ethyl 7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-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:

ethyl (ethoxymethylene)cyanoacetate (94-05-3,42466-69-3) → C17H15F2N3O2 (438218-13-4)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrazine hydrate / ethanol / 12 h / Reflux

2: acetic acid / 110 °C

With hydrazine hydrate; acetic acid; In ethanol;

DOI:10.1021/ml400071a

Reference yield:

para-methylacetophenone (122-00-9) → C17H15F2N3O2 (438218-13-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / tetrahydrofuran / 0.5 h / 0 °C

1.2: 0 - 20 °C

2.1: acetic acid / 110 °C

With sodium hydride; acetic acid; In tetrahydrofuran;

DOI:10.1021/ml400071a

Reference yield:

3-amino-4-pyrazolecarboxylic acid ethyl ester (6994-25-8,103259-35-4,19750-02-8) + 4,4-Difluoro-1-p-tolyl-butane-1,3-dione (165328-11-0) → C17H15F2N3O2 (438218-13-4)

Guidance literature:

With acetic acid; at 110 ℃;

DOI:10.1021/ml400071a

upstream raw materials:

ethyl (ethoxymethylene)cyanoacetate

3-amino-4-pyrazolecarboxylic acid ethyl ester

4,4-Difluoro-1-p-tolyl-butane-1,3-dione

para-methylacetophenone

Downstream raw materials:

(5R,7S)-7-(difluoromethyl)-5-(p-tolyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid