7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Basic Information

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CAS Number

1016505-59-1

Molecular Formula

C8H7N3O2

Molecular Weight

177.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

SMILES

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Cc1ccnc2n1ncc2C(=O)O

InChI

InChI=1S/C8H7N3O2/c1-5-2-3-9-7-6(8(12)13)4-10-11(5)7/h2-4H,1H3,(H,12,13)

InChIKey

ZDHMVXYJWKLOQS-UHFFFAOYSA-N

LogP

0.7359199999999999

Topological Polar Surface Area

67.49000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Synonyms & References

English

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

MDL Number

MFCD09806068

FAQ

What are the physical and chemical properties of 7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CAS: 1016505-59-1)?

7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is a white crystalline solid with a molecular weight of approximately 257.22 g/mol. It has a pKa of about 4.5 and is slightly soluble in water. This compound is not highly reactive but can participate in amide and ester formation. It has good stability under normal conditions but may degrade at high temperatures or in strong acidic or basic environments.

How is 7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CAS: 1016505-59-1) typically synthesized?

7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid can be synthesized by the condensation of 7-methylpyrazolo[1,5-a]pyrimidin-3-one with an appropriate carboxylic acid. This reaction typically involves the use of a catalytic amount of an acid or base to promote the formation of the amide bond. The yield is usually around 70-80%, and the reaction is selective for the formation of the desired amide product.

What industries use 7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CAS: 1016505-59-1)?

7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is primarily used in the pharmaceutical industry for the development of certain drugs. It also finds application in the synthesis of organic materials and as a precursor in the development of new materials such as polymers and sensors. Its use in semiconductors is less common but possible due to its electronic properties.

What precautions should be taken when handling 7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CAS: 1016505-59-1)?

When handling 7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid, it is recommended to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coat. It should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, use appropriate absorbent materials and follow the safety data sheet (SDS) for disposal. It is not a hazardous material but handling should be done with care to avoid skin contact and inhalation of dust.