Methyl 5-(methylsulfonyl)picolinate

Base Information

• Chemical Name: Methyl 5-(methylsulfonyl)picolinate
• CAS No.: 1201326-81-9
• Molecular Formula: C8H9NO4S
• Molecular Weight: 215.23
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID90700209
• Wikidata: Q82631438
• Mol file: 1201326-81-9.mol

Synonyms:1201326-81-9;Methyl 5-(methylsulfonyl)picolinate;METHYL 5-(METHYLSULFONYL)PYRIDINE-2-CARBOXYLATE;methyl 5-methylsulfonylpyridine-2-carboxylate;MFCD16495880;SCHEMBL9901479;DTXSID90700209;OANIRYJPNCZNHW-UHFFFAOYSA-N;Methyl5-(methylsulfonyl)picolinate;AMY37246;BYB32681;CS-B1039;AKOS016007476;DS-15152;SY008027;FT-0731672;Methyl 5-(methanesulfonyl)pyridine-2-carboxylate;A892327;2-Pyridinecarboxylic acid, 5-(methylsulfonyl)-, methyl ester

Chemical Property of Methyl 5-(methylsulfonyl)picolinate

Chemical Property:

• Boiling Point: 425.7±45.0 °C(Predicted)
• PKA: -1.86±0.10(Predicted)
• PSA: 81.71000
• Density: 1.325±0.06 g/cm3(Predicted)
• LogP: 1.35250
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 215.02522894
• Heavy Atom Count: 14
• Complexity: 306

Purity/Quality:

98%min ^*data from raw suppliers

Methyl5-(Methylsulfonyl)pyridine-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=NC=C(C=C1)S(=O)(=O)C

Technology Process of Methyl 5-(methylsulfonyl)picolinate

There total 6 articles about Methyl 5-(methylsulfonyl)picolinate 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: 80.5%

methanol (67-56-1) + carbon monoxide (201230-82-2) + 2-bromo-5-methanesulfonylpyridine (343262-51-1) → methyl 5-methanesulfonylpyridine-2-carboxylate (1201326-81-9)

Guidance literature:

With 1,3-bis-(diphenylphosphino)propane; palladium diacetate; In N,N-dimethyl-formamide; at 90 ℃; for 24h;

Reference yield: 76.5%

methyl 5-(methylthio)picolinate → methyl 5-methanesulfonylpyridine-2-carboxylate (1201326-81-9)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20 ℃;

Reference yield: 65.0%

methanol (67-56-1) + C9H7N3O2S → methyl 5-methanesulfonylpyridine-2-carboxylate (1201326-81-9)

Guidance literature:

C₉H₇N₃O₂S; With 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; at 20 ℃; for 0.25h; Molecular sieve;

methanol; In tetrahydrofuran; at 20 ℃; for 0.25h; Molecular sieve;

DOI:10.1055/s-0034-1380572

upstream raw materials:

5-bromoisonicotinic acid

methyl 5-bromopicolinate

methanol

2,5-dibromopyridine

Downstream raw materials:

N-(2-chlorophenyl)-5-(methylsulfonyl)picolinamide

N'-[(E)-3-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridyl)-1,2,4-triazol-3-yl]prop-2-enoyl]-2-methoxy-pyridine-4-carbohydrazide

N′-(2-chlorophenyl)-5-(methylsulfonyl)picolinimidohydrazide

N-(2-chlorophenyl)-5-(methylsulfonyl)picolinimidoyl chloride

Refernces

• 1、 -. "Furanone derivatives, preparation method and use thereof". . . Retrieved 2019/05/04.
• 2、 -. "TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS". . . Retrieved 2012/06/30.