ChemicalBook--->CAS DataBase List--->25940-35-6

25940-35-6

25940-35-6 Structure

25940-35-6 Structure
IdentificationMore
[Name]

PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID
[CAS]

25940-35-6
[Synonyms]

AKOS B001273
ART-CHEM-BB B001273
PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID
TIMTEC-BB SBB006995
[Molecular Formula]

C7H5N3O2
[MDL Number]

MFCD01975194
[Molecular Weight]

163.13
[MOL File]

25940-35-6.mol
Chemical PropertiesBack Directory
[Melting point ]

180°C
[density ]

1.58±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

solid
[pka]

-1.71±0.41(Predicted)
[Appearance]

Yellow to brown Solid
[Water Solubility ]

Soluble in water
[InChI]

InChI=1S/C7H5N3O2/c11-7(12)5-4-9-10-3-1-2-8-6(5)10/h1-4H,(H,11,12)
[InChIKey]

HNYVPKNVKSTVJO-UHFFFAOYSA-N
[SMILES]

C12=C(C(O)=O)C=NN1C=CC=N2
[CAS DataBase Reference]

25940-35-6(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

2916399090
Hazard InformationBack Directory
[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.
[Synthesis]

PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID ETHYL ESTER

115932-00-8

PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID

25940-35-6

The general procedure for the synthesis of pyrazolo[1,5-a]pyrimidine-3-carboxylic acid from ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate was as follows: to a mixture of ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate (3.15 g, 16.4 mmol) in ethanol (50 mL) and water (40 mL) was added an aqueous solution of 2 M potassium hydroxide (40 mL). The reaction mixture was stirred at 50 °C for 2 h, subsequently cooled to room temperature and concentrated under vacuum. The resulting mixture was adjusted to pH=2 with 1 M aqueous hydrochloric acid, at which time a white solid precipitated. The white solid product was collected by filtration to give 2.6 g (97% yield). The product was detected by LC-MS (ESI, negative ion mode), m/z: 162.1 [M-H]-. 1H NMR (600 MHz, DMSO-d6) δ (ppm): 9.26 (dd, J=7.0,1.7 Hz, 1H), 8.80 (dd, J=4.1,1.7 Hz, 1H), 8.58 (s, 1H), 7.26 ( dd, J=7.0,4.1 Hz, 1H).

[References]

[1] Patent: WO2015/73267, 2015, A1. Location in patent: Paragraph 390
[2] Patent: CN104650092, 2017, B. Location in patent: Paragraph 0770-0771; 0776-0777
Spectrum DetailBack Directory
[Spectrum Detail]

PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID(25940-35-6)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

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