4-Formyl-1-methylpyridinium benzenesulfonate

Base Information

• Chemical Name: 4-Formyl-1-methylpyridinium benzenesulfonate
• CAS No.: 82228-89-5
• Molecular Formula: C13H13NO4S
• Molecular Weight: 279.317
• Hs Code.: 29333990
• European Community (EC) Number: 676-836-0
• DSSTox Substance ID: DTXSID40431258
• Mol file: 82228-89-5.mol

Synonyms:82228-89-5;4-Formyl-1-methylpyridinium benzenesulfonate;4-Formyl-1-methyl-pyridinium benzenesulfonate;4-Formyl-1-methylpyridin-1-ium benzenesulfonate;Pyridinium, 4-formyl-1-methyl-, benzenesulfonate;benzenesulfonate;1-methylpyridin-1-ium-4-carbaldehyde;4-formyl-1-methylpyridinium benzenesulfo nate;SCHEMBL1323372;DTXSID40431258;HSVLGIFAXFDLMU-UHFFFAOYSA-M;AKOS022172386;AS-37777;4-formyl-methylpyridinium benzene sulfonate;4-formyl-1-methyl pyridinium benzensulfonate;4-formyl-l-methyl pyridinium benzensulfonate;CS-0020961;FT-0641854;4-Formyl-1-methylpyridin-1-iumbenzenesulfonate;A840281;4-Formyl-1-methylpyridinium benzenesulfonate, >=95.0%

Chemical Property of 4-Formyl-1-methylpyridinium benzenesulfonate

Chemical Property:

• Appearance/Colour: pale yellow liquid
• Melting Point: ~95 °C
• PSA: 86.53000
• LogP: 1.99510
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Air Sensitive
• Water Solubility.: Sparingly soluble in water (0.27 g/L at 25°C).
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 279.05652907
• Heavy Atom Count: 19
• Complexity: 265

Purity/Quality:

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

4-Formyl-1-methylpyridinium benzenesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 22-24/25-37-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C[N+]1=CC=C(C=C1)C=O.C1=CC=C(C=C1)S(=O)(=O)[O-]
• Uses: N-Methylpyridinium-4-carboxaldehyde benzenesulfonate hydrate is a useful reagent for the chemical transformation of primary amines to aldehydes and ketones under extremely mild conditions.

Technology Process of 4-Formyl-1-methylpyridinium benzenesulfonate

There total 1 articles about 4-Formyl-1-methylpyridinium benzenesulfonate 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: 95.0%

pyridine-4-carbaldehyde (872-85-5) + Methyl benzenesulfonate (80-18-2) → N-methylpyridinium-4-carboxaldehyde benzenesulfonate salt (82228-89-5)

Guidance literature:

In acetone; at 60 ℃;

Reference yield:

deacetylthiocolchicine (2731-16-0) + N-methylpyridinium-4-carboxaldehyde benzenesulfonate salt (82228-89-5) → Benzenesulfonate1-methyl-4-{[(E)-(S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-ylimino]-methyl}-pyridinium;

Guidance literature:

In dichloromethane; N,N-dimethyl-formamide; for 10h; Ambient temperature;

DOI:10.1021/jm960663k

Reference yield:

[1-(benzo[d][1,3]dioxol-5-yl)-1H-tetrazol-5-yl](4-chlorophenyl)methanamine (1269205-90-4) + N-methylpyridinium-4-carboxaldehyde benzenesulfonate salt (82228-89-5) → C6H5O3S(1-)*C22H18ClN6O2(1+)

Guidance literature:

In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 8h;

DOI:10.1055/s-0030-1258273

upstream raw materials:

pyridine-4-carbaldehyde

Methyl benzenesulfonate

Refernces

• 1、 Buckley, Thomas F.,Rapoport, Henry. "Mild and Simple Biomimetic Conversion of Amines to Carbonyl Compounds". . p. 4446 - 4450. Retrieved 2007/10/02.