5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine

Base Information

• Chemical Name: 5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
• CAS No.: 87119-67-3
• Molecular Formula: C14H13 N3
• Molecular Weight: 223.277
• DSSTox Substance ID: DTXSID00353200
• Nikkaji Number: J3.089.358A
• Wikidata: Q82130672
• ChEMBL ID: CHEMBL1450922
• Mol file: 87119-67-3.mol

Synonyms:5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine;87119-67-3;MLS000711401;SMR000281168;5,7-Dimethyl-2-phenyl-pyrazolo[1,5-a]pyrimidine;Pyrazolo[1,5-a]pyrimidine,5,7-dimethyl-2-phenyl-;cid_737207;SCHEMBL5270613;CHEMBL1450922;DTXSID00353200;CHEBI:183774;BDBM114886;HMS1674B03;HMS2639C18;HMS3363D16;STK041263;AKOS000582794;CCG-112307;FT-0687678;EN300-27189;SR-01000496828;SR-01000496828-1;Z56757696;5,7-Dimethyl-2-phenyl-pyrazolo[1,5-a]pyrimidine, AldrichCPR

Chemical Property of 5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine

Chemical Property:

• PSA: 30.19000
• Density: 1.16g/cm3
• LogP: 3.01310
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 223.110947427
• Heavy Atom Count: 17
• Complexity: 262

Purity/Quality:

99% ^*data from raw suppliers

5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC2=CC(=NN12)C3=CC=CC=C3)C

Technology Process of 5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine

There total 16 articles about 5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine 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: 97.0%

acetylacetone (123-54-6,81235-32-7) + 3-phenylpyrazol-5-amine (827-41-8) → 5,7-Dimethyl-2-phenylpyrazolo<1,5-a>pyrimidine (87119-67-3)

Guidance literature:

Heating;

DOI:10.1023/A:1022186627777

Reference yield: 76.0%

acetoacetic acid methyl ester (105-45-3) + 3-phenylpyrazol-5-amine (827-41-8) → 5,7-Dimethyl-2-phenylpyrazolo<1,5-a>pyrimidine (87119-67-3)

Guidance literature:

With hydrogenchloride; for 1.5h; Heating;

Reference yield: 75.0%

5-amino-4-bromo-3-phenylpyrazole (70081-28-6) + acetylacetone (123-54-6,81235-32-7) → 5,7-Dimethyl-2-phenylpyrazolo<1,5-a>pyrimidine (87119-67-3)

Guidance literature:

In ethanol; for 5h; Heating;

DOI:10.1002/ardp.19833160810

upstream raw materials:

3⁽⁵⁾-phenylpyrazol-5⁽³⁾-amine

acetylacetone

5-amino-4-bromo-3-phenylpyrazole

acetoacetic acid methyl ester

Downstream raw materials:

(3-(5-Methyl-2-phenyl-pyrazolo(1,5-a)pyrimidin-7-yl)-propylidene)bisphosphonic acid tetraethyl ester

7-[bis(4-fluorophenyl)methyl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine

3-(4-fluorophenyl)-5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine

dimethyl 4,4'-{(5-Methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)methylene}dibenzoate