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METHYL 3-METHYLPYRIDINE-2-CARBOXYLATE

CAS：59718-84-2
MW:151.16256
MF：C8H9NO2

METHYL 3-METHYLPYRIDINE-2-CARBOXYLATE, with the chemical formula C9H11NO2 and CAS registry number 59718-84-2, is a compound known for its applications in various chemical processes. This colorless liquid, also referred to as 3-Methyl-2-pyridinecarboxylic acid methyl ester, is characterized by its methyl and pyridine functional groups. It is commonly used as a building block in the synthesis of pharmaceuticals and agrochemicals, offering a versatile platform for the introduction of methyl and pyridine moieties into different molecules. Additionally, METHYL 3-METHYLPYRIDINE-2-CARBOXYLATE has been found to exhibit antimicrobial and anti-inflammatory properties, making it a potential candidate for drug development. Further research is being conducted to explore its potential applications in various fields.

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Names and ldentifier
Properties
Use and Manufacturing
Msds
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: METHYL 3-METHYLPYRIDINE-2-CARBOXYLATE

1.2 Synonyms: 2-Pyridinecarboxylic acid, 3-methyl-, methyl ester; 3-Methylpyridine-2-carboxylicacid methyl ester; Methyl 3-methyl-2-pyridinecarboxylate;

1.3 CAS No.: 59718-84-2

1.4 CID: 12264487

1.5 Molecular Formula: C8H9NO2

1.6 Inchi: InChI=1S/C8H9NO2/c1-6-4-3-5-9-7(6)8(10)11-2/h3-5H,1-2H3

1.7 InChkey: CCQFKEITVOTHIW-UHFFFAOYSA-N

1.8 Canonical Smiles: CC1=C(N=CC=C1)C(=O)OC

1.9 Isomers Smiles: CC1=C(N=CC=C1)C(=O)OC

2. Properties

2.1 Appearance: Colorless to Light yellow clear liquid

2.2 Chemical Properties: Colorless liquid METHYL 3-METHYLPYRIDINE-2-CARBOXYLATESupplier

2.3 pKa: 2.19±0.10(Predicted)

2.4 StorageTemp: Inert atmosphere,Room Temperature

3. Use and Manufacturing

3.1 Description

METHYL 3-METHYLPYRIDINE-2-CARBOXYLATE, with the chemical formula C8H9NO2, has the CAS number 59718-84-2. It appears as a colorless to pale yellow liquid with a fruity odor. The basic structure of METHYL 3-METHYLPYRIDINE-2-CARBOXYLATE consists of a methyl group, a 3-methylpyridine ring, and a carboxylate group. This compound is soluble in organic solvents but insoluble in water. Safety information regarding METHYL 3-METHYLPYRIDINE-2-CARBOXYLATE is not available.

Applicable Fields

Pharmaceuticals: METHYL 3-METHYLPYRIDINE-2-CARBOXYLATE is used in the pharmaceutical industry for various purposes. Its mechanism of action in this field may involve acting as an intermediate in the synthesis of certain drugs or as a component in drug formulations.

Storage

Conditions: Store in a cool and dry place.

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4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Serious eye damage, Category 1

Specific target organ toxicity – single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H315 Causes skin irritation H318 Causes serious eye damage H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P310 Immediately call a POISON CENTER/doctor/… P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/…if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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5. Synthesis Route

59718-84-2Total: 7 Synthesis Route

874-24-8 116 Suppliers

59718-84-2 45 Suppliers

20970-75-6 195 Suppliers

59718-84-2 45 Suppliers

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6. Precursor and Product

precursor:

1071068-55-7

583-61-9

874-24-8

20970-75-6

594-27-4

157865-84-4

62733-99-7

4021-07-2

67-56-1

product:

878207-92-2

878207-91-1

15375-78-7

15375-79-8

1167056-52-1

7. Computed Properties

Molecular Weight：151.16256g/mol
Molecular Formula：C₈H₉NO₂
Compound Is Canonicalized：True
Exact Mass：1.4
XLogP3-AA：151.063328530
Monoisotopic Mass：151.063328530
Complexity：147
Rotatable Bond Count：2
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：3
Topological Polar Surface Area：39.2
Heavy Atom Count：：11
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccByMAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgAAAAAADAjBngY+iJIIFACoAzT3TASCgCA3AiAI2CG4bNgKJvLAtbmFMQhkwAHY6QeYSAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==