Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Base Information

• Chemical Name: Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
• CAS No.: 25940-35-6
• Molecular Formula: C7H5N3O2
• Molecular Weight: 163.136
• Hs Code.: 2933990090
• European Community (EC) Number: 681-761-1
• DSSTox Substance ID: DTXSID70365572
• Wikidata: Q72503574
• Mol file: 25940-35-6.mol

Synonyms:Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;25940-35-6;MFCD01975194;Pyrazolo[1,5-a]pyrimidine-3-carboxylicacid;BAS 01516081;3-Carboxypyrazolo[1,5-a]pyrimidine;SCHEMBL309036;DTXSID70365572;BBL038204;STK347890;AKOS000301393;CS-W013252;DS-2609;PB34011;TS-00112;AM20090320;BB 0219889;FT-0677055;EN300-29520;A818097;Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid,98%;Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 95%;W-206994;F2192-0011;Z283862198

Chemical Property of Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Chemical Property:

• Melting Point: 180°C
• Refractive Index: 1.739
• PKA: -1.71±0.41(Predicted)
• PSA: 67.49000
• Density: 1.585 g/cm³
• LogP: 0.42750
• Storage Temp.: 2-8°C
• Water Solubility.: Soluble in water
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 163.038176411
• Heavy Atom Count: 12
• Complexity: 197

Purity/Quality:

98%,99%, ^*data from raw suppliers

Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN2C(=C(C=N2)C(=O)O)N=C1
• Uses: Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, is used as a chemicals, pharmaceutical intermediates, reagents. It is an important raw material and intermediate used in pharmaceuticals, agro based and dye stuff fields.

Technology Process of Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

There total 3 articles about Pyrazolo[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: 97.0%

pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester (115932-00-8) → pyrazolo[1,5-a] pyrimidine-3-carboxylic acid (25940-35-6)

Guidance literature:

With potassium hydroxide; In ethanol; water; at 50 ℃; for 2h;

Reference yield: 91.0%

pyrazolo[1,5-a] pyrimidine-3-carboxylic acid methyl ester → pyrazolo[1,5-a] pyrimidine-3-carboxylic acid (25940-35-6)

Guidance literature:

pyrazolo[1,5-a] pyrimidine-3-carboxylic acid methyl ester; With potassium hydroxide; In ethanol; water; at 50 ℃; for 3h;

With hydrogenchloride; In ethanol; water; pH=2;

Reference yield:

→ pyrazolo[1,5-a] pyrimidine-3-carboxylic acid (25940-35-6)

Guidance literature:

3(5)-Aminopyrazol-4-carbonsaeure, (MeO)2CHCH2CH(OMe)2;

upstream raw materials:

pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester

Downstream raw materials:

C₁₉H₁₉F₂N₅O

pyrazolo[1,5-a]pyrimidine-3-carboxylic acid [5-((E)-3-hydroxypropenyl)-2-methoxyphenyl]amide

pyrazolo[1,5-a]pyrimidine-3-carboxylic acid [5-chloro-2-(4-hydroxy-cyclohexyloxy)-phenyl]-amide

pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (5-chloro-2-hydroxy-phenyl)-amide

Refernces

• 1、 -. "Compound containing 2,4 - thiazole ring and preparation method and application thereof". Paragraph 0134; 0135; 0137. . Retrieved 2021/08/25.
• 2、 -. "Pyridines IRAK4 inhibitors, preparation method and application thereof (by machine translation)". Paragraph 0092; 0093. . Retrieved 2017/09/01.