7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Base Information

• Chemical Name: 7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
• CAS No.: 438218-14-5
• Molecular Formula: C9H7F2N3O2
• Molecular Weight: 227.1675864
• Hs Code.: 2933990090
• European Community (EC) Number: 675-282-7
• DSSTox Substance ID: DTXSID80357084
• Wikidata: Q82136812
• ChEMBL ID: CHEMBL1741396
• Mol file: 438218-14-5.mol

Synonyms:7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;438218-14-5;7-difluoromethyl-5-methyl-pyrazolo-[1,5-a]pyrimidine-3-carboxylic acid;7-Difluoromethyl-5-methyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;MFCD02253706;MLS000123509;HMS1687E19;CHEMBL1741396;SCHEMBL18208179;DTXSID80357084;HMS2473L14;BBL039484;STK348775;AKOS000304176;CCG-120734;SB85676;LS-03376;SMR000124199;CS-0080330;EN300-83530;D74132;Z275127526;7-(difluoromethyl)-5-methyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylicacid;7-difluoromethyl-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid, AldrichCPR

Chemical Property of 7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Chemical Property:

• PKA: -2.00±0.41(Predicted)
• PSA: 67.49000
• Density: 1.62±0.1 g/cm3(Predicted)
• LogP: 1.67350
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 227.05063280
• Heavy Atom Count: 16
• Complexity: 290

Purity/Quality:

97% ^*data from raw suppliers

7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=NC2=C(C=NN2C(=C1)C(F)F)C(=O)O

Technology Process of 7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

There total 2 articles about 7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid 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:

C11H11F2N3O2 (438218-16-7) → 7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (438218-14-5)

Guidance literature:

With water; sodium hydroxide; In methanol; at 80 ℃; for 3h;

DOI:10.1021/jm300063b

Reference yield:

1,1-difluoro-1-phenyl-1,3-butanedione (41739-23-5) → 7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (438218-14-5)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid / 110 °C

2: water; sodium hydroxide / methanol / 3 h / 80 °C

With water; acetic acid; sodium hydroxide; In methanol;

DOI:10.1021/jm300063b

Reference yield:

7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (438218-14-5) + 8-amino-2-(2-chloro-4-fluorophenyl)-2-azaspiro[4.5]decan-1-one → N-[(cis)-2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]dec-8-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a] pyrimidine-3-carboxamide

Guidance literature:

With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

upstream raw materials:

C₁₁H₁₁F₂N₃O₂

1,1-difluoro-1-phenyl-1,3-butanedione

Downstream raw materials:

7-(difluoromethyl)-N-(4-ethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide