METHYL 3-METHYLPYRIDINE-2-CARBOXYLATE structure

3D Mol Similar

METHYL 3-METHYLPYRIDINE-2-CARBOXYLATE

: Iupac Name：methyl 3-methylpyridine-2-carboxylate; CAS No.: 59718-84-2; Molecular Weight：151.16256; Modify Date.: 2022-11-25 00:59; Introduction:
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.
View more+

Request For Quotation

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 (isomer)

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

1.7 InChIkey: 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 Density: 1.121?g/mL?at 25?°C

2.1 Boiling point: 241.1°C at 760 mmHg

2.1 Refractive index: n20/D 1.516

2.1 Flash Point: 110?°C

2.1 Precise Quality: 151.06300

2.1 PSA: 39.19000

2.1 logP: 1.17660

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. Safety and Handling

3.1 Hazard Codes: Xi

3.1 Risk Statements: R37/38

3.1 Safety Statements: 26-39

3.1 Hazard Declaration: H315-H318-H335

3.1 RIDADR: NONH for all modes of transport

3.1 Caution Statement: P261-P280-P305 + P351 + P338

3.1 WGK Germany: 3

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

View all

5. Synthesis Route

59718-84-2Total: 7 Synthesis Route

874-24-8 116 Suppliers

59718-84-2 45 Suppliers

Literatures:
Tetrahedron Letters, , vol. 37, # 4 p. 459 - 462
Yield: null

20970-75-6 195 Suppliers

59718-84-2 45 Suppliers

Literatures:
Tetrahedron, , vol. 69, # 33 p. 6799 - 6803
Yield: null

62733-99-7 52 Suppliers

59718-84-2 45 Suppliers

Literatures:
Tetrahedron Letters, , vol. 37, # 4 p. 459 - 462
Yield: null

View all

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. Computational chemical data

Molecular Weight: 151.16256g/mol
Molecular Formula: C₈H₉NO₂
Compound Is Canonicalized: True
XLogP3-AA: 1.4
Exact Mass: 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==

8. Recommended Suppliers

Global39SuppliersView all >>

Amitychem Corporation Diamond member

4YRS

Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
Tel:86-592-8883942
Email:sale@amitychem.com

Factory Supply Methyl 3-Methylpyridine-2-Carboxylate

Purity:99%Packing: 200kg/bag FOB
Price: 0.1 USD/kilogram
Time: 2023/06/28

Inquire

Dayang Chem (Hangzhou) Co., Ltd. Diamond member

13YRS

Products:Chemical products
Tel:86-571-88938639
Email:sales-gc@dycnchem.com

Methyl 3-methylpyridine-2-carboxylate

Purity:99%Packing: 200kg/bag FOB
Price: 3 USD/kilogram
Time: 2024/06/17

Inquire

Shanghai Send Pharmaceutical Technology Co., Ltd Diamond member

1YR

Products:60025-09-4;5305-45-3;116-81-4;885277-67-8;614-16-4;890014-38-7;6281-32-9;5632-17-7;120157-97-3;25503-90-6;90226-87-2;5932-31-0;299166-55-5;119871-25-9;107259-06-3;107017-73-2
Tel:86-21-58088081
Email:sale@shsendpharm.com

METHYL3-METHYLPYRIDINE-2-CARBOXYLATE

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2024/11/15

Inquire

Henan Kangqian Medical Technology Co,. Ltd Audited Suppliers

Products:Custom custimization, intermediates, research products, technology transfer
Tel:86-371-86568877

Methyl 3-methylpyridine-2-carboxylate

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/gram
Time: 2018/09/07

Inquire

Henan Kangqian Medical Technology Co., Ltd Audited Suppliers

Products:Intermediates Organosilicon compounds Organic Phosphine Compounds Sulfur Compounds Nitrogen Compounds Halogenated Compounds Carbon Oxides Intermediates Custom Synthesis
Tel:86-371-86568877

Methyl 3-methylpyridine-2-carboxylate 98% [59718-84-2]