2-Pyridinesulfonic acid methyl ester

Base Information

• Chemical Name: 2-Pyridinesulfonic acid methyl ester
• CAS No.: 111480-82-1
• Molecular Formula: C₆H₇NO₃S
• Molecular Weight: 173.192
• DSSTox Substance ID: DTXSID20549547
• Wikidata: Q82428641
• Mol file: 111480-82-1.mol

Synonyms:2-Pyridinesulfonic acid methyl ester;methyl pyridine-2-sulfonate;111480-82-1;SCHEMBL6081437;DTXSID20549547

Chemical Property of 2-Pyridinesulfonic acid methyl ester

Chemical Property:

• Boiling Point: 300.6±15.0 °C(Predicted)
• PKA: -2.19±0.19(Predicted)
• PSA: 64.64000
• Density: 1.324±0.06 g/cm3(Predicted)
• LogP: 1.49750
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 173.01466426
• Heavy Atom Count: 11
• Complexity: 206

Purity/Quality:

95% ^*data from raw suppliers

2-PYRIDINESULFONIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COS(=O)(=O)C1=CC=CC=N1

Technology Process of 2-Pyridinesulfonic acid methyl ester

There total 2 articles about 2-Pyridinesulfonic acid methyl ester 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: 78.0%

methanol (67-56-1) + Pyridyl-2-sulfonyl chloride hydrochloride (111480-84-3) → Pyridine-2-sulfonic acid methyl ester (111480-82-1)

Guidance literature:

With pyridine; at 0 ℃;

DOI:10.1055/s-1987-27967

Reference yield:

2-Sulfanylpyridine (2637-34-5,73018-10-7) → Pyridine-2-sulfonic acid methyl ester (111480-82-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 54.8 percent / Cl₂, conc. aq. HCl / 1.5 h / 0 °C

2: 78 percent / pyridine / 0 °C

With pyridine; hydrogenchloride; chlorine;

DOI:10.1055/s-1987-27967

upstream raw materials:

methanol

Pyridyl-2-sulfonyl chloride hydrochloride

2-Sulfanylpyridine

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