AKOS B001256

Base Information

• Chemical Name: AKOS B001256
• CAS No.: 312635-16-8
• Molecular Formula: C14H8F3N3O2
• Molecular Weight: 307.22700
• Mol file: 312635-16-8.mol

Synonyms:5-phenyl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;7-(trifluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;

Chemical Property of AKOS B001256

Chemical Property:

• Melting Point: 252-253 °C(Solv: acetonitrile (75-05-8))
• PKA: -0.31±0.41(Predicted)
• PSA: 67.49000
• Density: 1.52±0.1 g/cm3(Predicted)
• LogP: 3.11330

Purity/Quality:

98%min ^*data from raw suppliers

5-Phenyl-7-(trifluoromethyl)pyrazolo-[1,5-a]pyrimidine-3-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of AKOS B001256

There total 3 articles about AKOS B001256 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: 93.0%

5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde (1260243-12-6) → 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (312635-16-8)

Guidance literature:

With sodium chlorite; sodium dihydrogenphosphate; In 1,4-dioxane; 2-methyl-but-2-ene; water; at 20 ℃; for 5h; Cooling with ice;

DOI:10.1016/j.bmc.2010.10.035

Reference yield: 74.0%

ethyl 5-phenyl-7-(trifluoromethyl)-pyrazolo[1,5-a]pyrimidine-3-carboxylate (312635-19-1) → 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (312635-16-8)

Guidance literature:

ethyl 5-phenyl-7-(trifluoromethyl)-pyrazolo[1,5-a]pyrimidine-3-carboxylate; With sodium hydroxide; In ethanol; water; at 65 ℃; for 4h;

With hydrogenchloride; at 20 ℃; pH=1;

DOI:10.5012/jkcs.2011.55.4.719

Reference yield:

1-Phenyl-4,4,4-trifluorobutane-1,3-dione (326-06-7) → 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (312635-16-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: acetic acid / 0.08 h / Microwave irradiation

2.1: sodium hydroxide / ethanol; water / 4 h / 65 °C

2.2: 20 °C / pH 1

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

DOI:10.5012/jkcs.2011.55.4.719

upstream raw materials:

5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde

1-Phenyl-4,4,4-trifluorobutane-1,3-dione

ethyl 5-phenyl-7-(trifluoromethyl)-pyrazolo[1,5-a]pyrimidine-3-carboxylate

Downstream raw materials:

N-(1-adamantyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

tert-butyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-ylcarbamate

N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-({[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-carbonyl}amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide

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