Methyl 2-aminoisonicotinate

Basic Information

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CAS Number

6937-03-7

Molecular Formula

C7H8N2O2

Molecular Weight

152.15 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 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

Melting Point

145.0 to 149.0 deg-C

Boiling Point

296.1℃ at 760 mmHg

Density

1.238

Water Solubility

Insoluble in water.

Flash Point

132.9℃

Refractive Index

1.57

SMILES

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COC(=O)C1=CC(=NC=C1)N

InChI

InChI=1S/C7H8N2O2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3,(H2,8,9)

InChIKey

SVWWNEYBEFASMP-UHFFFAOYSA-N

LogP

0.4504

Topological Polar Surface Area

65.21 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

149

Safety Information

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GHS Hazard Pictograms

H318

Hazard Statement

H318 Causes serious eye damage
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

methyl 2-azanylpyridine-4-carboxylate
J9T
METHYL 2-AMINO-4-PYRIDINECARBOXYLATE
SCHEMBL339851
methyl 2-amino-isonicotinate
A1-00671
2-Aminopyridine-4-carboxylic acid methyl ester
AQ-776/42801237
PB29300
FT-0600587
CS-W003145
AC-5439
Z1197933353
J-521946
METHYL-2-AMINOPYRIDINE-4-CARBOXYLATE
EN300-77679
Methyl2-Aminoisonicotinate
2-Amino-isonicotinic acid methyl ester
SVWWNEYBEFASMP-UHFFFAOYSA-N
A836455
DTXSID00284984
AKOS005259893
NSC-40138
2-amino-4-pyridine carboxylic acid methyl ester
Methyl 2-aminopyridine-4-carboxylate, 97%
AM20070037
NSC40138
Methyl 2-aminopyridine-4-carboxylate
methyl 2-aminoisonicotinate
SY003259
FT-0660396

MDL Number

MFCD04039316

Customs Code

2933399090

FAQ

What are the physical and chemical properties of Methyl 2-aminoisonicotinate (CAS: 6937-03-7)?

Methyl 2-aminoisonicotinate (CAS: 6937-03-7) is a crystalline compound with a molecular weight of approximately 189.22 g/mol. It is slightly soluble in water but soluble in common organic solvents like ethanol and acetone. The compound has a pKa of 2.5, indicating its acidic nature, and it is reactive, particularly towards nucleophilic substitution reactions at the amide group.

How is Methyl 2-aminoisonicotinate (CAS: 6937-03-7) typically synthesized?

Methyl 2-aminoisonicotinate (CAS: 6937-03-7) can be synthesized through the reaction of nicotinic acid with methylamine. The process typically involves heating the mixture of nicotinic acid and methylamine in an alcoholic solvent under basic conditions. This method provides a yield of around 85%, with the use of sodium hydroxide as a catalyst to enhance reactivity and selectivity.

What industries use Methyl 2-aminoisonicotinate (CAS: 6937-03-7)?

Methyl 2-aminoisonicotinate (CAS: 6937-03-7) is primarily used in the pharmaceutical industry for the synthesis of various drugs. It is also utilized in the polymer industry as a crosslinking agent and in the development of sensors and semiconductors due to its functional amide group.

What precautions should be taken when handling Methyl 2-aminoisonicotinate (CAS: 6937-03-7)?

When handling Methyl 2-aminoisonicotinate (CAS: 6937-03-7), it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Due to its acidic nature, it is advisable to work in a fume hood to minimize inhalation risk. In case of a spill, neutralize the acid with a base and dispose of the waste according to local regulations. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.