Methyl 3-methylpyridine-2-carboxylate

Base Information

• Chemical Name: Methyl 3-methylpyridine-2-carboxylate
• CAS No.: 59718-84-2
• Molecular Formula: C8H9NO2
• Molecular Weight: 151.165
• Hs Code.: 2933399090
• European Community (EC) Number: 624-953-2
• DSSTox Substance ID: DTXSID30483064
• Nikkaji Number: J1.051.322G
• Wikidata: Q72493038
• Mol file: 59718-84-2.mol

Synonyms:59718-84-2;Methyl 3-methylpyridine-2-carboxylate;METHYL 3-METHYLPICOLINATE;3-Methylpicolinic acid methyl ester;MFCD03789583;Methyl3-methylpyridine-2-carboxylate;3-METHYL-2-PYRIDINECARBOXYLIC ACID METHYL ESTER;2-PYRIDINECARBOXYLIC ACID, 3-METHYL-, METHYL ESTER;SCHEMBL128711;DTXSID30483064;CCQFKEITVOTHIW-UHFFFAOYSA-N;2-methoxycarbonyl-3-methylpyridine;AM9816;AKOS011625751;AB16147;CS-W008502;AS-18019;SY005197;A8378;FT-0654305;M2746;Methyl 3-methylpyridine-2-carboxylate, 97%;EN300-129625;3-Methylpyridine-2-carboxylic Acid Methyl Ester;F1916-7314;Z976637088

Chemical Property of Methyl 3-methylpyridine-2-carboxylate

Chemical Property:

• Vapor Pressure: 0.0365mmHg at 25°C
• Refractive Index: n20/D 1.516
• Boiling Point: 241.1 °C at 760 mmHg
• PKA: 2.19±0.10(Predicted)
• Flash Point: 99.6 °C
• PSA: 39.19000
• Density: 1.104g/cm³
• LogP: 1.17660
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 151.063328530
• Heavy Atom Count: 11
• Complexity: 147

Purity/Quality:

99.9% ^*data from raw suppliers

Methyl 3-Methylpyridine-2-carboxylate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N=CC=C1)C(=O)OC
• Uses: Methyl 3-Methylpyridine-2-carboxylate is a building block that has been used in the synthesis of pyrrolo[3,4-b]pyridin-7(6H)-one derivatives as melanin concentrating hormone receptor 1 (MCH-R1) antagonists.

Technology Process of Methyl 3-methylpyridine-2-carboxylate

There total 1 articles about Methyl 3-methylpyridine-2-carboxylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

2,3-Lutidine (583-61-9) + methanol (67-56-1) → 3-methylpyridine-2-carboxaldehyde (55589-47-4) + 3-methyl-pyridine-2-carboxylic acid methyl ester (59718-84-2)

Guidance literature:

With hydrogenchloride; selenium(IV) oxide; Yield given; Multistep reaction; 1.) H₂O, reflux, 20 h, 2.) reflux, 8 h;

DOI:10.1080/00304949909355682

Reference yield: 80.0%

3-methyl-pyridine-2-carboxylic acid methyl ester (59718-84-2) + benzaldehyde (100-52-7) → methyl (2R*,3S*)-1-benzyl-3-methylpiperidine-2-carboxylate + methyl (2R*,3R*)-1-benzyl-3-methylpiperidine-2-carboxylate

Guidance literature:

3-methyl-pyridine-2-carboxylic acid methyl ester; With platinum(IV) oxide; palladium 10% on activated carbon; hydrogen; acetic acid; at 20 ℃; for 24h;

benzaldehyde; With sodium tris(acetoxy)borohydride; acetic acid; In 1,2-dichloro-ethane; at 20 ℃; for 18h; Inert atmosphere;

DOI:10.1002/chem.202001123

Reference yield: 37.0%

2-oxo-2-(4-(prop-2-yn-1-yloxy)phenyl)acetic acid + 3-methyl-pyridine-2-carboxylic acid methyl ester (59718-84-2) → C18H15NO4 + C18H15NO4

Guidance literature:

With ammonium peroxydisulfate; silver nitrate; trifluoroacetic acid; In dichloromethane; water; at 60 ℃; for 3h;

DOI:10.1039/d0ob00336k

upstream raw materials:

2,3-Lutidine

methanol

Downstream raw materials:

3-bromomethyl-pyridine-2-carboxylic acid methyl ester

methyl 3-methyl-1-oxido-pyridin-1-ium-2-carboxylate

C₂₇H₂₉N₃O₄

C₂₇H₂₉N₃O₄

Refernces