Methanesulfinic acid sodium

Base Information

• Chemical Name: Methanesulfinic acid sodium
• CAS No.: 20277-69-4
• Molecular Formula: CH3NaO2S
• Molecular Weight: 102.089
• Hs Code.: 29309090
• Mol file: 20277-69-4.mol

Synonyms:methanesulfinic acid sodium;sodium methanesulfinic acid;sodium methanesulphinic acid;sodium methane sulfinic acid;SCHEMBL43526;RHDUOFVTCTUTFX-UHFFFAOYSA-N

Chemical Property of Methanesulfinic acid sodium

Chemical Property:

• Appearance/Colour: White to light beige powder
• Melting Point: 222-226 °C (dec.)(lit.)
• Boiling Point: 256.4 °C at 760 mmHg
• Flash Point: 108.9 °C
• PSA: 59.34000
• LogP: 0.36100
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Air Sensitive & Hygroscopic
• Solubility.: Methanol, Water (Slightly)
• Water Solubility.: soluble
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 102.98296982
• Heavy Atom Count: 5
• Complexity: 33

Purity/Quality:

99% ^*data from raw suppliers

SodiumMethylsulfinate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-20/21/22
• Safety Statements: 36/37-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)O.[Na]
• Description: Sodium methanesulfinate is an aliphatic sodium sulfinate. Conjugate addition of sodium methanesulfinate to vinyl heterocycles has been described. Cross-coupling reaction between aryl boronic acid and sodium methanesulfinate has been studied. It can be used in the preparation of alkyl methyl sulfone and methyl bis(4-tolyl)sulfoniumtrifluoromethanesulfonate. It is also employed in the synthesis of two sulfonyl type reversible addition-fragmentation transfer (RAFT) agents such as benzyl methylsulfonyldithioformate and benzyl phenylsulfonyldithioformate. Moreover, it can be used for synthesizing cyclooxygenase-2 inhibitors.
• Uses: Sodium methylsulfinate can be used to synthesize cyclooxygenase-2 inhibitors.

Technology Process of Methanesulfinic acid sodium

There total 9 articles about Methanesulfinic acid sodium 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%

methanesulfonyl chloride (124-63-0) → sodium methansulfinate (20277-69-4)

Guidance literature:

With alkaline sodium sulfite;

DOI:10.1021/ja00395a024

Reference yield: 95.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) → sodium methansulfinate (20277-69-4)

Guidance literature:

With sodium hydroxide; sodium dithionite; In water; at 20 ℃; for 0.333333h; pH=8 - 11.5; Product distribution / selectivity;

Reference yield:

methylsulphinyl chloride (676-85-7) → sodium methansulfinate (20277-69-4)

Guidance literature:

With sodium hydrogencarbonate; sodium sulfite; In N,N-dimethyl-formamide; at 80 ℃; for 4h;

DOI:10.1002/ejoc.201601443

upstream raw materials:

3-Sulfolene

1-methyl-4-nitrosobenzene

2,3-dihydrothiophene-1,1-dioxide

2-methanesulfonylbenzothiazole

Downstream raw materials:

1-(methylsulfonyl)-2-(4-nitrophenyl)diazene

Methyl α-(methylsulfonyl)acetate

2-methanesulfonyl-2-methoxy-1-phenyl-ethanone

(1-Methoxy-1-methylsulfonylmethyl)(4-nitrophenyl)-keton

Refernces

Development of a practical route for the manufacture of N-[5-(3-lmidazol-1-yl-4-methanesulfonyl-phenyl)-4-methyl-thiazol-2-yl]acetamide

10.1021/op700222r

The research focuses on the development of an efficient synthetic route for the manufacture of N-[5-(3-Imidazol-1-yl-4methanesulfonyl-phenyl)-4-methyl-thiazol-2-yl]acetamide, a potent candidate for respiratory treatments, specifically aimed at asthma. The new synthesis route addresses toxicity and safety issues from the original process by utilizing a key Darzens condensation and α,β-epoxide rearrangement, enhancing the practicality, robustness, and streamlining of the manufacturing process. The experiments involved a series of chemical reactions, including SNAr reactions, Henry condensation, reduction of nitro compounds, and the formation of heterocyclic moieties. Reactants such as 3,4-difluorobenzaldehyde, sodium methylsulfinate, nitroethane, and various other reagents were used. The analyses included monitoring reaction temperatures, yields, purities, and the use of techniques like NMR spectroscopy and high-resolution mass spectrometry (HRMS) to characterize the intermediates and final products. The study also explored alternative solvent systems and conditions to improve the overall yield and safety of the process.