Ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

Base Information

• Chemical Name: Ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
• CAS No.: 90840-54-3
• Molecular Formula: C₁₀H₁₁N₃O₂
• Molecular Weight: 205.216
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30569837
• Nikkaji Number: J498.218E
• Wikidata: Q82457074
• Mol file: 90840-54-3.mol

Synonyms:ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate;90840-54-3;DTXSID30569837;MFCD11045692;AKOS005143075;CCG-321744;AS-39035;CS-0080349;EN300-232196;6-ethoxycarbonyl-7-methylpyrazolo[1,5-a]pyrimidine

Chemical Property of Ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

Chemical Property:

• PSA: 56.49000
• LogP: 1.21440
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 205.085126602
• Heavy Atom Count: 15
• Complexity: 247

Purity/Quality:

97% ^*data from raw suppliers

ethyl7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(N2C(=CC=N2)N=C1)C

Technology Process of Ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

There total 2 articles about Ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-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: 100.0%

3(5)-aminopyrazole (1225387-53-0) + 2-ethoxymethylene-3-oxobutanoic acid ethyl ester (3788-94-1) → Ethyl 7-methylpyrazolo<1,5-a>pyrimidine-6-carboxylate (90840-54-3)

Guidance literature:

In ethanol; for 30h; Heating;

DOI:10.1002/mrc.1260301116

Reference yield:

→ Ethyl 7-methylpyrazolo<1,5-a>pyrimidine-6-carboxylate (90840-54-3)

Guidance literature:

2-Acetyl-3-ethoxy-acrylsaeure-ethylester, 5-Amino-pyrazol, Eisessig, Erhitzen;

Reference yield: 83.0%

Ethyl 7-methylpyrazolo<1,5-a>pyrimidine-6-carboxylate (90840-54-3) → ethyl 3-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate (1370287-43-6)

Guidance literature:

With N-Bromosuccinimide; In dichloromethane; at 0 - 20 ℃; for 17.5h;

DOI:10.1021/jm300164q

upstream raw materials:

3⁽⁵⁾-aminopyrazole

2-ethoxymethylene-3-oxobutanoic acid ethyl ester

Downstream raw materials:

pyrazolo<1,5-a>pyrido<3,4-e>pyrimidin-6(7H)-one

ethyl 3-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

3-(4-chlorophenyl)-7-methyl-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

3-(3-chlorophenyl)-7-methyl-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide