3-Bromo-2,5-dimethylpyrazolo[1,5-C]pyrimidine

Base Information

• Chemical Name: 3-Bromo-2,5-dimethylpyrazolo[1,5-C]pyrimidine
• CAS No.: 35833-97-7
• Molecular Formula: C₈H₈BrN₃
• Molecular Weight: 226.076
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30464055
• Wikidata: Q82289234
• Mol file: 35833-97-7.mol

Synonyms:35833-97-7;3-BROMO-2,5-DIMETHYLPYRAZOLO[1,5-C]PYRIMIDINE;sodium4-phenylbutyrate;DTXSID30464055;AKOS015967339

Chemical Property of 3-Bromo-2,5-dimethylpyrazolo[1,5-C]pyrimidine

Chemical Property:

• PSA: 30.19000
• LogP: 2.10860
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 224.99016
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

98% ^*data from raw suppliers

3-Bromo-2,5-dimethylpyrazolo[1,5-c]pyrimidine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C(=NN2C=N1)C)Br

Technology Process of 3-Bromo-2,5-dimethylpyrazolo[1,5-C]pyrimidine

There total 2 articles about 3-Bromo-2,5-dimethylpyrazolo[1,5-C]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: 58.0%

1-(toluene-4-sulfonyl)-ethyl isocyanide (58379-80-9) + 4-bromo-5-bromomethyl-3-methylpyrazole-1-carboxylic acid methyl ester (307951-34-4) → 3-bromo-2,5-dimethylpyrazolo[1,5-c]pyrimidine (35833-97-7)

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In dichloromethane; water; at 0 ℃; for 24h;

DOI:10.1021/jo050029r

Reference yield:

→ 3-bromo-2,5-dimethylpyrazolo[1,5-c]pyrimidine (35833-97-7)

Guidance literature:

2,5-Dimethyl-pyrazolo<1,5-c>pyrimidin (19), Br2;

upstream raw materials:

1-(toluene-4-sulfonyl)-ethyl isocyanide

4-bromo-5-bromomethyl-3-methylpyrazole-1-carboxylic acid methyl ester

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