7-Chloro-5-methylpyrazolo[1,5-a]pyrimidine

Base Information

• Chemical Name: 7-Chloro-5-methylpyrazolo[1,5-a]pyrimidine
• CAS No.: 16082-27-2
• Molecular Formula: C7H6ClN3
• Molecular Weight: 167.598
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50440654
• Wikidata: Q72454798
• Mol file: 16082-27-2.mol

Synonyms:7-chloro-5-methylpyrazolo[1,5-a]pyrimidine;16082-27-2;7-Chloro-5-methyl-pyrazolo[1,5-a]pyrimidine;Pyrazolo[1,5-a]pyrimidine, 7-chloro-5-methyl-;SCHEMBL659433;DTXSID50440654;BJXJEUOXFCAJLA-UHFFFAOYSA-N;MFCD09414731;AKOS013133422;AB50588;TS-02266;5-methyl-7-chloropyrazolo[1,5-a]pyrimidine;A3561;AM20080436;FT-0653236;FT-0654511;EN300-128757;7-chloro-5-methyl-8H-pyrazolo[1,5-a]pyrimidine;F8883-5167;Z1157836255

Chemical Property of 7-Chloro-5-methylpyrazolo[1,5-a]pyrimidine

Chemical Property:

• Melting Point: 36 °C
• Refractive Index: 1.681
• PKA: -0.14±0.40(Predicted)
• PSA: 30.19000
• Density: 1.436g/cm³
• LogP: 1.69110
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 167.0250249
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

99% ^*data from raw suppliers

7-Chloro-5-methylpyrazolo[1,5-a]pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=CC=NN2C(=C1)Cl

Technology Process of 7-Chloro-5-methylpyrazolo[1,5-a]pyrimidine

There total 3 articles about 7-Chloro-5-methylpyrazolo[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: 84.0%

5-methyl-4H-pyrazolo<1,5-a>pyrimidin-7-one (29274-35-9) → 7-Chloro-5-methylpyrazolo[1,5-a]pyrimidine (16082-27-2)

Guidance literature:

With N,N-dimethyl-aniline; trichlorophosphate; In toluene; at 90 ℃; for 4h;

DOI:10.1021/acs.jmedchem.1c00941

Reference yield: 74.16%

5-methyl-7-hydroxy-pyrazolo[1,5-a]pyrimidine (16082-26-1) → 7-Chloro-5-methylpyrazolo[1,5-a]pyrimidine (16082-27-2)

Guidance literature:

With dmap; trichlorophosphate; at 60 ℃; for 2h;

Reference yield:

→ 7-Chloro-5-methylpyrazolo[1,5-a]pyrimidine (16082-27-2)

Guidance literature:

7-OH-Verb.,POCl3;

upstream raw materials:

5-methyl-4H-pyrazolo<1,5-a>pyrimidin-7-one

5-methyl-7-hydroxy-pyrazolo[1,5-a]pyrimidine

Downstream raw materials:

3-bromo-7-chloro-5-methylpyrazolo[1,5-a]pyrimidine