Sydnone, 3-(2-((4-methylphenyl)thio)ethyl)-

Base Information

• Chemical Name: Sydnone, 3-(2-((4-methylphenyl)thio)ethyl)-
• CAS No.: 96991-48-9
• Molecular Formula: C11H12 N2 O2 S
• Molecular Weight: 236.294
• Hs Code.: 2934999090
• Mol file: 96991-48-9.mol

Synonyms:Sydnone, 3-(2-((4-methylphenyl)thio)ethyl)-

Chemical Property of Sydnone, 3-(2-((4-methylphenyl)thio)ethyl)-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 73.33000
• Density: g/cm³
• LogP: 1.93700
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 236.06194880
• Heavy Atom Count: 16
• Complexity: 210

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)SCC[N+]2=NOC(=C2)[O-]

Technology Process of Sydnone, 3-(2-((4-methylphenyl)thio)ethyl)-

There total 3 articles about Sydnone, 3-(2-((4-methylphenyl)thio)ethyl)- 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:

C11H14N2O3S → 3-<2-(4-methylphenyl)-thioethyl>-sydnone (96991-48-9)

Guidance literature:

In acetic anhydride; at 25 ℃; for 96h; Yield given;

Reference yield:

2-<<(4-methylphenyl)thio>amino>ethane hydrochloride (24194-10-3) → 3-<2-(4-methylphenyl)-thioethyl>-sydnone (96991-48-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 89 percent / 1.) 15percent NaOH / toluene / 18 h / 25 °C

2: NaNO₂; 10percentHCl / H₂O; CH₂Cl₂ / 3 h / -5 °C

3: acetic anhydride / 96 h / 25 °C

With hydrogenchloride; sodium hydroxide; sodium nitrite; In dichloromethane; water; acetic anhydride; toluene;

Reference yield:

N-<2-(4-methylphenyl)-thioethyl>-aminoacetic acid (96991-46-7) → 3-<2-(4-methylphenyl)-thioethyl>-sydnone (96991-48-9)

Guidance literature:

Multi-step reaction with 2 steps

1: NaNO₂; 10percentHCl / H₂O; CH₂Cl₂ / 3 h / -5 °C

2: acetic anhydride / 96 h / 25 °C

With hydrogenchloride; sodium nitrite; In dichloromethane; water; acetic anhydride;

upstream raw materials:

2-<<(4-methylphenyl)thio>amino>ethane hydrochloride

N-<2-(4-methylphenyl)-thioethyl>-aminoacetic acid

Downstream raw materials:

glycolic Acid

N-glycoloyl-glycine

2-(p-tolylthio)-ethanol

para-thiocresol

Refernces