3-Amino-2-methoxyisonicotinic acid

Basic Information

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CAS Number

870997-81-2

Molecular Formula

C7H8N2O3

Molecular Weight

168.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Density

1.384

SMILES

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COc1c(c(ccn1)C(=O)O)N

InChI

InChI=1S/C7H8N2O3/c1-12-6-5(8)4(7(10)11)2-3-9-6/h2-3H,8H2,1H3,(H,10,11)

InChIKey

ABVDQGNEDSKBLA-UHFFFAOYSA-N

LogP

0.3706

Topological Polar Surface Area

85.44 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

174

Synonyms & References

English

3-amino-2-methoxy-4-Pyridinecarboxylic acid
3-Amino-2-methoxyisonicotinic acid
3-amino-2-methoxypyridine-4-carboxylic acid
ABVDQGNEDSKBLA-UHFFFAOYSA-N
BCP05762
BBL103578
STL557388
3-Amino-2-methoxy-isonicotinic acid
3744AC
RW2959
AB75431
SY020937
AM807202
AB0069721
ST2410429
Y1339
3-Amino-2-methoxy-pyridine

MDL Number

MFCD18262266

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 3-Amino-2-methoxyisonicotinic acid (CAS: 870997-81-2)?

3-Amino-2-methoxyisonicotinic acid is a crystalline solid. Its molecular weight is approximately 230.23 g/mol. It is slightly soluble in water but more soluble in solvents like ethanol and methanol. Chemically, it is reactive towards nucleophiles and can participate in condensation reactions. It has a pKa of around 2.5, indicating acidic behavior.

How is 3-Amino-2-methoxyisonicotinic acid (CAS: 870997-81-2) typically synthesized?

3-Amino-2-methoxyisonicotinic acid can be synthesized by reacting nicotinic acid with methylamine followed by methylation. Alternatively, it can be prepared by the nucleophilic substitution of methoxy group on nicotinic acid. The reaction typically requires a mild base as a catalyst and provides good yield (up to 85%) with high selectivity.

What industries use 3-Amino-2-methoxyisonicotinic acid (CAS: 870997-81-2)?

3-Amino-2-methoxyisonicotinic acid finds applications in the pharmaceutical industry for the synthesis of certain drug intermediates. It is also used in the preparation of sensors and may have potential in the semiconductor industry due to its aromatic structure. Additionally, it can be used in polymer chemistry for functionalization purposes.

What precautions should be taken when handling 3-Amino-2-methoxyisonicotinic acid (CAS: 870997-81-2)?

When handling 3-Amino-2-methoxyisonicotinic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize exposure to vapors. Spills should be immediately cleaned up using appropriate absorbents, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.