2-Pyridineethanesulfonic acid

Base Information

• Chemical Name: 2-Pyridineethanesulfonic acid
• CAS No.: 68922-18-9
• Molecular Formula: C7H9 N O3 S
• Molecular Weight: 187.219
• Hs Code.: 2933399090
• European Community (EC) Number: 272-989-9
• NSC Number: 87861
• UNII: RS3VM6KL7L
• DSSTox Substance ID: DTXSID3071850
• Nikkaji Number: J208.847I
• Wikidata: Q81999665
• Mol file: 68922-18-9.mol

Synonyms:2-(2-Pyridyl)ethanesulfonic acid;68922-18-9;2-Pyridineethanesulfonic acid;2-pyridin-2-ylethanesulfonic acid;2-(pyridin-2-yl)ethane-1-sulfonic acid;Pyridine-2-ethanesulphonic acid;RS3VM6KL7L;2-(2-pyridinyl)ethanesulfonic acid;EINECS 272-989-9;2-(pyridin-2-yl)ethanesulfonic acid;NSC-87861;UNII-RS3VM6KL7L;NCIOpen2_001144;SCHEMBL497367;DTXSID3071850;2-(pyridin-2-yl)ethanesulfonicacid;NSC87861;MFCD00006365;NSC 87861;2-PYRIDINEETHANESULPHONIC ACID;PYRIDINE-2-ETHANESULFONIC ACID;AKOS000596534;FG-0456;CS-0317326;FT-0608510;P0352;D91949;A905387

Chemical Property of 2-Pyridineethanesulfonic acid

Chemical Property:

• Melting Point: 268 °C (dec.)(lit.)
• PSA: 75.64000
• Density: 1.397g/cm³
• LogP: 1.59270
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 187.03031432
• Heavy Atom Count: 12
• Complexity: 219

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(2-Pyridyl)ethanesulfonic Acid >98.0%(HPLC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)CCS(=O)(=O)O

Technology Process of 2-Pyridineethanesulfonic acid

There total 4 articles about 2-Pyridineethanesulfonic acid 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-vinylpyridine (100-69-6,25014-15-7,27476-03-5,329041-71-6) → pyridin-2-yl ethane sulfonic acid (68922-18-9)

Guidance literature:

With ethanol; sulfur dioxide;

Reference yield:

S-2-(2-pyridyl)ethyl thioacetate (59020-97-2) → pyridin-2-yl ethane sulfonic acid (68922-18-9)

Guidance literature:

With potassium chloride; iodine; potassium iodide; In water; at 26.1 ℃; Rate constant; borate buffer, pH 9.0; effect of thioester concentration, and of KI concentration;

DOI:10.1021/ja00352a026

Reference yield:

2-vinylpyridine (100-69-6,25014-15-7,27476-03-5,329041-71-6) + water (7732-18-5) + sodium hydrogensulfite → pyridin-2-yl ethane sulfonic acid (68922-18-9)

Guidance literature:

DOI:10.1021/ja01202a063

upstream raw materials:

2-vinylpyridine

S-2-(2-pyridyl)ethyl thioacetate

water

Downstream raw materials:

N-<<2-(2-pyridinyl)eyhyl>sulfonyl>valine benzyl ester

Refernces