Methyl 5-hydroxynicotinate

Basic Information

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CAS Number

30766-22-4

Molecular Formula

C7H7NO3

Molecular Weight

153.14 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

Basic Physical Properties

Melting Point

185.0 to 195.0 deg-C

Boiling Point

374.2℃ at 760 mmHg

Flash Point

180.1℃

SMILES

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COC(=O)C1=CC(=CN=C1)O

InChI

InChI=1S/C7H7NO3/c1-11-7(10)5-2-6(9)4-8-3-5/h2-4,9H,1H3

InChIKey

KJJSHOHQQHACLE-UHFFFAOYSA-N

LogP

0.5737999999999999

Topological Polar Surface Area

59.42 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

149

Safety Information

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GHS Hazard Pictograms

H315

H318

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

CS-W001532
3-Hydroxy-5-methoxycarbonylpyridine
5-hydroxy nicotinic acid methyl ester
NSC605540
Methyl 5-hydroxynicotinate
J-018132
InChI=1/C7H7NO3/c1-11-7(10)5-2-6(9)4-8-3-5/h2-4,9H,1H3
AMY22957
MFCD00191521
SMR000145227
NSC-605540
EN300-105837
AKOS005460044
DTXSID30326624
Alanine, 2-methyl-N-2,4-xylyl-
3-PYRIDINECARBOXYLIC ACID, 5-HYDROXY-, METHYL ESTER
30766-22-4
CHEMBL1700220
SY003383
MLS000551301
GS-4228
SCHEMBL342817
H0841
5-hydroxynicotinic methyl ester
AC-2938
KJJSHOHQQHACLE-UHFFFAOYSA-
A5627
FT-0655068
Methyl 5-hydroxy-3-pyridinecarboxylate, 97%
5-Hydroxynicotinic Acid Methyl Ester
methyl 5-hydroxypyridine-3-carboxylate

MDL Number

MFCD00191521

Customs Code

2933399090

FAQ

What are the physical and chemical properties of Methyl 5-hydroxynicotinate (CAS: 30766-22-4)?

Methyl 5-hydroxynicotinate (CAS: 30766-22-4) is a white crystalline solid with a molecular weight of approximately 165.21 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol and acetone. Chemically, it is reactive towards bases and oxidizing agents. It decomposes above 150°C and is unstable in acidic conditions.

How is Methyl 5-hydroxynicotinate (CAS: 30766-22-4) typically synthesized?

Methyl 5-hydroxynicotinate is commonly synthesized by the hydroxylation of nicotinic acid followed by esterification with methyl alcohol. The reaction typically uses a hydrogenation catalyst like platinum or palladium on charcoal. The yield can be enhanced by optimizing the reaction conditions such as temperature, pressure, and the use of appropriate solvents.

What industries use Methyl 5-hydroxynicotinate (CAS: 30766-22-4)?

Methyl 5-hydroxynicotinate (CAS: 30766-22-4) is used in the pharmaceutical industry as an intermediate in the synthesis of certain drugs. It also finds application in the synthesis of pesticides and as a chemical reagent in analytical chemistry for spectroscopic studies and as a probe in biological assays.

What precautions should be taken when handling Methyl 5-hydroxynicotinate (CAS: 30766-22-4)?

When handling Methyl 5-hydroxynicotinate (CAS: 30766-22-4), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. The substance should be handled in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbents. Detailed safety data sheets (SDS) should be consulted for comprehensive safety information.