3,3-Dimethyl-1-(methylsulfonyl)-2-butanone O-((methylamino)carbonyl)oxime

Base Information

• Chemical Name: 3,3-Dimethyl-1-(methylsulfonyl)-2-butanone O-((methylamino)carbonyl)oxime
• CAS No.: 39184-59-3
• Molecular Formula: C₉H₁₈N₂O₄S
• Molecular Weight: 250.319
• European Community (EC) Number: 621-387-8
• DSSTox Substance ID: DTXSID001016525
• Nikkaji Number: J124.967C
• Mol file: 39184-59-3.mol

Synonyms:Thiofanox sulfone;39184-59-3;3,3-Dimethyl-1-(methylsulfonyl)-2-butanone O-((methylamino)carbonyl)oxime;BRN 1978015;[(Z)-(3,3-dimethyl-1-methylsulfonylbutan-2-ylidene)amino] N-methylcarbamate;2-BUTANONE, 3,3-DIMETHYL-1-(METHYLSULFONYL)-, O-((METHYLAMINO)CARBONYL)OXIME;THIOFANOX-SULFON PESTANAL 100 MG;2-Butanone, 3,3-dimethyl-1-(methylsulfonyl)-, O-[(methylamino)carbonyl]oxime;C9H18N2O4S;C9-H18-N2-O4-S;Thiofanox sulphone;SCHEMBL11296905;PZOIECHFNQBYRT-YRNVUSSQSA-N;DTXSID001016525;LS-46724;(2Z)-3,3-Dimethyl-2-(([(methylamino)carbonyl]oxy)imino)-1-(methylsulfonyl)butane #

Chemical Property of 3,3-Dimethyl-1-(methylsulfonyl)-2-butanone O-((methylamino)carbonyl)oxime

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 13.47±0.46(Predicted)
• Flash Point: °C
• PSA: 93.21000
• Density: 1.18g/cm³
• LogP: 2.26080
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 250.09872823
• Heavy Atom Count: 16
• Complexity: 373

Purity/Quality:

98%min ^*data from raw suppliers

ThiofanoxSulfone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+,Xn,F
• Hazard Codes: T+,Xn,F
• Statements: 24-28-36-20/21/22-11
• Safety Statements: 28-36/37-45-26-16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=NOC(=O)NC)CS(=O)(=O)C
• Isomeric SMILES: CC(C)(C)/C(=N/OC(=O)NC)/CS(=O)(=O)C
• Uses: Thiofanox Sulfone is an insecticide used to protect vegetation and crops form flies, mosquitoes and other pests. Pesticide.

Technology Process of 3,3-Dimethyl-1-(methylsulfonyl)-2-butanone O-((methylamino)carbonyl)oxime

There total 1 articles about 3,3-Dimethyl-1-(methylsulfonyl)-2-butanone O-((methylamino)carbonyl)oxime 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: 87.0%

3,3-dimethyl-1-(methylthio)-2-butanone O-<(methylamino)carbonyl>oxime (39196-18-4) → thiofanox sulfone (39184-59-3)

Guidance literature:

With peracetic acid; In ethyl acetate; at 20 - 25 ℃;

DOI:10.1007/BF00224808

upstream raw materials:

3,3-dimethyl-1-(methylthio)-2-butanone O-<(methylamino)carbonyl>oxime