Ethyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate

Base Information

• Chemical Name: Ethyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
• CAS No.: 52664-01-4
• Molecular Formula: C₁₁H₁₃N₃O₂
• Molecular Weight: 219.243
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20352432
• Wikidata: Q82129578
• ChEMBL ID: CHEMBL3246708
• Mol file: 52664-01-4.mol

Synonyms:ethyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate;52664-01-4;MFCD00220707;5,7-Dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester;CDS1_004010;CBMicro_017514;DivK1c_005050;F3250-0649;SCHEMBL1006040;CHEMBL3246708;DTXSID20352432;BCP31042;CCA66401;CCG-6259;STK327646;AKOS000271359;AB04944;UPCMLD0ENAT5756814:001;SY046507;BIM-0017594.P001;CS-0080338;VU0607303-1;A923384;AJ-077/33271022;SR-01000416484;SR-01000416484-1;Z111781368;ethyl5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate;5,7-Dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester

Chemical Property of Ethyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate

Chemical Property:

• PSA: 56.49000
• LogP: 1.52280
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 219.100776666
• Heavy Atom Count: 16
• Complexity: 272

Purity/Quality:

97% ^*data from raw suppliers

Ethyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate

There total 4 articles about Ethyl 5,7-dimethylpyrazolo[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: 98.0%

ethyl 5-amino-1H-pyrazole-4-carboxylate (1260243-04-6,6994-25-8) + acetylacetone (123-54-6,81235-32-7) → ethyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate (52664-01-4)

Guidance literature:

With acetic acid; at 82 ℃; for 8h;

DOI:10.1007/s00706-016-1723-9

Reference yield: 93.0%

3-amino-4-pyrazolecarboxylic acid ethyl ester (6994-25-8,103259-35-4,19750-02-8) + acetylacetone (123-54-6,81235-32-7) → ethyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate (52664-01-4)

Guidance literature:

With acetic acid; In toluene; at 20 - 49 ℃; for 3.16667h; Temperature; Inert atmosphere; Large scale;

Reference yield:

ethyl 2-cyanoacetate (105-56-6) → ethyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate (52664-01-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: acetic acid / N,N-dimethyl-formamide / 1 h / 25 °C

1.2: 2 h / 50 °C

2.1: acetic acid / 8 h / 82 °C

With acetic acid; In N,N-dimethyl-formamide;

DOI:10.1007/s00706-016-1723-9

upstream raw materials:

ethyl 5-amino-1H-pyrazole-4-carboxylate

acetylacetone

3-amino-4-pyrazolecarboxylic acid ethyl ester

ethyl 2-cyanoacetate

Downstream raw materials:

5,7-dimethyl-pyrazolo[1,5-a] pyrimidine-3-carboxylic acid

5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl chloride

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