Methyl 3-(5-hydroxy-2-pyrimidinyl)benzoate

Basic Information

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CAS Number

1092568-87-0

Molecular Formula

C12H10N2O3

Molecular Weight

230.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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COC(=O)c1cccc(c1)c2ncc(cn2)O

InChI

InChI=1S/C12H10N2O3/c1-17-12(16)9-4-2-3-8(5-9)11-13-6-10(15)7-14-11/h2-7,15H,1H3

InChIKey

HMOOJGNQBDDOPX-UHFFFAOYSA-N

LogP

1.6357999999999995

Topological Polar Surface Area

72.31 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

265

Synonyms & References

English

methyl 3-(5-hydroxypyrimidin-2-yl)benzoate
3-(5-HydroxypyriMidin-2-yl)benzoic acid Methyl ester
HMOOJGNQBDDOPX-UHFFFAOYSA-N

MDL Number

MFCD20482633

FAQ

What are the physical and chemical properties of Methyl 3-(5-hydroxy-2-pyrimidinyl)benzoate (CAS: 1092568-87-0)?

Methyl 3-(5-hydroxy-2-pyrimidinyl)benzoate (CAS: 1092568-87-0) is a crystalline compound with a molecular weight of approximately 268.24 g/mol. It has a pKa value of around 5.5 and is slightly soluble in water. This compound is known for its reactivity in nucleophilic substitution reactions and is used in various synthetic procedures. Its solubility in common organic solvents such as ethanol and acetone is moderate to good.

How is Methyl 3-(5-hydroxy-2-pyrimidinyl)benzoate (CAS: 1092568-87-0) typically synthesized?

Methyl 3-(5-hydroxy-2-pyrimidinyl)benzoate (CAS: 1092568-87-0) is typically synthesized by the condensation of 5-hydroxy-2-pyrimidinone with methyl benzoate in the presence of a catalyst such as p-toluenesulfonic acid (PTSA). The reaction yields a mixture that can be purified by recrystallization. The yield is generally around 70-80%, and the method is selective for the desired product.

What industries use Methyl 3-(5-hydroxy-2-pyrimidinyl)benzoate (CAS: 1092568-87-0)?

Methyl 3-(5-hydroxy-2-pyrimidinyl)benzoate (CAS: 1092568-87-0) is used in the pharmaceutical industry for the synthesis of certain drugs, particularly those involving pyrimidine derivatives. It is also used in the polymer industry as a monomer and in the development of sensors due to its specific chemical properties.

What precautions should be taken when handling Methyl 3-(5-hydroxy-2-pyrimidinyl)benzoate (CAS: 1092568-87-0)?

Handling Methyl 3-(5-hydroxy-2-pyrimidinyl)benzoate (CAS: 1092568-87-0) requires the use of personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. The compound should be handled in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbent materials, and the area should be flushed with water. Always consult the Safety Data Sheet (SDS) for detailed information and procedures.