(S,E)-2-Methyl-N-(2,2,2-trifluoroethylidene)propane-2-sulfinamide

Base Information

• Chemical Name: (S,E)-2-Methyl-N-(2,2,2-trifluoroethylidene)propane-2-sulfinamide
• CAS No.: 929642-48-8
• Molecular Formula: C6H10F3NOS
• Molecular Weight: 201.213
• European Community (EC) Number: 695-240-1
• Mol file: 929642-48-8.mol

Synonyms:(S,E)-2-Methyl-N-(2,2,2-trifluoroethylidene)propane-2-sulfinamide;929642-48-8;(S)-2-Propanesulfinamide, 2-methyl-N-(2,2,2-trifluoroethylidene);(NE,S)-2-methyl-N-(2,2,2-trifluoroethylidene)propane-2-sulfinamide;1241540-44-2;MFCD20487958;1219607-85-8;SCHEMBL13337443;CS-11496

Chemical Property of (S,E)-2-Methyl-N-(2,2,2-trifluoroethylidene)propane-2-sulfinamide

Chemical Property:

• Boiling Point: 189.3±50.0 °C(Predicted)
• PKA: -2.66±0.50(Predicted)
• PSA: 48.64000
• Density: 1.25±0.1 g/cm3(Predicted)
• LogP: 2.94740
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 201.04351960
• Heavy Atom Count: 12
• Complexity: 204

Purity/Quality:

97% ^*data from raw suppliers

(S,E)-2-Methyl-N-(2,2,2-trifluoroethylidene)propane-2-sulfinamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)S(=O)N=CC(F)(F)F
• Isomeric SMILES: CC(C)(C)[S@](=O)/N=C/C(F)(F)F

Technology Process of (S,E)-2-Methyl-N-(2,2,2-trifluoroethylidene)propane-2-sulfinamide

There total 2 articles about (S,E)-2-Methyl-N-(2,2,2-trifluoroethylidene)propane-2-sulfinamide 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: 88.0%

2,2,2-Trifluoroacetaldehyde (75-90-1) + (S)-2-methylpropane-2-sulfinamide (343338-28-3) → (S,E)-2-methyl-N-(2,2,2-trifluoroethylidene)propane-2-sulfinamide (929642-48-8,1219607-83-6)

Guidance literature:

In toluene; at 20 ℃; for 48h;

DOI:10.3762/bjoc.13.240

Reference yield:

2,2,2-trifluoro-1,1-ethanediol (421-53-4) + (S)-2-methylpropane-2-sulfinamide (343338-28-3) → (S,E)-2-methyl-N-(2,2,2-trifluoroethylidene)propane-2-sulfinamide (929642-48-8,1219607-83-6)

Guidance literature:

With 4 A molecular sieve; In water; toluene; at 40 ℃; for 6h;

DOI:10.1021/ol063001q

Reference yield: 99.0%

(S,E)-2-methyl-N-(2,2,2-trifluoroethylidene)propane-2-sulfinamide (929642-48-8,1219607-83-6) + 3-(4-ethylphenyl)-3-oxopropanoic acid → C16H22F3NO2S

Guidance literature:

With nickel(II) triflate; In tetrahydrofuran; at 20 ℃; for 24h; diastereoselective reaction;

DOI:10.1039/c5ra02653a

upstream raw materials:

2,2,2-trifluoro-1,1-ethanediol

(S)-2-methylpropane-2-sulfinamide

2,2,2-Trifluoroacetaldehyde

Downstream raw materials:

(+)-(S_S,S)-2-methyl-N-(2,2,2-trifluoro-1-phenylethyl)propane-2-sulfinamide

(S)-2-methyl-N-((S)-2,2,2-trifluoro-1-((S)-5-oxo-2,5-dihydrofuran-2-yl)ethyl)propane-2-sulfinamide