809101

Sodium 4-Methyl-benzenemethanesulfinate

• Empirical Formula (Hill Notation): C₈H₉NaO₂S
• Molecular Weight: 192.21
• UNSPSC Code: 12352200
• PubChem Substance ID: 329769139
• NACRES: NA.22

Properties

• form: powder
• Quality Level: 100
• reaction suitability: reaction type: C-C Bond Formation
• functional group: sulfinic acid
• SMILES string: CC1=CC=C(CS(O[Na])=O)C=C1
• InChI: 1S/C8H10O2S.Na/c1-7-2-4-8(5-3-7)6-11(9)10;/h2-5H,6H2,1H3,(H,9,10);/q;+1/p-1
• InChI key: HXROXTYHYDVLDL-UHFFFAOYSA-M

Description

General description

Sodium 4-Methyl-benzenemethanesulfinate is an alkyl baran diversinate. These reagents facilitate the functionalization of heteroaromatic C-H bonds under simple reaction conditions.

Application

The following Baran Sulfinate is a part of a toolbox of diversification reagents, which are ideal for the late-stage functionalization of nitrogen-containing heterocycles. The regioselectivity can be effectively tuned by modification of the pH and solvent selection.

Other Notes

Diversinates^™: Any-Stage Functionalization of (Hetero)aromatic Scaffolds

Legal Information

Diversinates is a trademark of Sigma-Aldrich Co. LLC

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable