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- Sulfonium, dimethylphenyl-, perchlorate (1:1)
- Sulfonium, trimethyl-, chloride, S-oxide
- Sulfonium, triphenyl-,bromide (1:1)
- Sulfonium,(2-carboxyethyl)dimethyl-, inner salt
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Cas Database |
| Name |
Sulfonium, trimethyl-, chloride, S-oxide |
EINECS | 225-724-6 |
| CAS No. | 5034-06-0 | Density | N/A |
| PSA | 36.28000 | LogP | -2.62070 |
| Solubility | N/A | Melting Point |
226-229 °C(lit.) |
| Formula | C3H9ClOS | Boiling Point | N/A |
| Molecular Weight | 128.623 | Flash Point | N/A |
| Transport Information | N/A | Appearance | White powder |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Trimethylsulfoniumchloride, oxide (6CI,7CI);NSC 221182;Trimethyloxosulfonium chloride;Trimethylsulfoxonium chloride; |
Article Data | 5 |
Sulfonium, trimethyl-, chloride, S-oxide Synthetic route
| Conditions | Yield |
|---|---|
| With benzyltri(n-butyl)ammonium chloride In dichloromethane; water for 17h; | 98.4% |
| With benzyltri(n-butyl)ammonium chloride In dichloromethane; water for 24h; Darkness; | 84% |
| With water; chlorine at 50℃; |
- 35155-66-9
3-chloro-2-methoxycyclohex-2-en-1-one
- 70775-39-2, 5367-24-8
dimethylsulfoxonium methylide
A
- 5034-06-0
trimethyl sulfoxonium chloride
B
- 73801-71-5
dimethyloxosulphonium (2-methyl-3-oxocyclohex-1-en-1-yl)methylide
| Conditions | Yield |
|---|---|
| In tetrahydrofuran for 18h; Heating; | A 61% B 38% |
| Conditions | Yield |
|---|---|
| In water | |
| With sodium hypochlorite In water |
| Conditions | Yield |
|---|---|
| Stage #1: trimethyl sulfoxonium chloride With n-butyllithium In tetrahydrofuran; hexane at 0℃; for 0.416667h; Stage #2: C13H19NOS In tetrahydrofuran; hexane at 0 - 20℃; | A 100% B n/a |
- 24210-19-3
methyl (2S)-3-methyl-[(benzyloxy)carbonylamino]butanoate
- 5034-06-0
trimethyl sulfoxonium chloride
- 850796-29-1
dimethylsulfoxonium (3S)-2-oxo-3-(benzyloxycarbonylamino)-4-methylpentylide
| Conditions | Yield |
|---|---|
| Stage #1: trimethyl sulfoxonium chloride With potassium tert-butylate In tetrahydrofuran at 20℃; for 2h; Heating / reflux; Stage #2: methyl (2S)-3-methyl-[(benzyloxy)carbonylamino]butanoate In tetrahydrofuran at 0℃; for 4h; | 98% |
| Stage #1: trimethyl sulfoxonium chloride With potassium tert-butylate In tetrahydrofuran for 2h; Heating; Stage #2: methyl (2S)-3-methyl-[(benzyloxy)carbonylamino]butanoate In tetrahydrofuran at 0℃; for 4h; |
- 28819-05-8
(S)-2-benzyloxycarbonylamino-propionic acid methyl ester
- 5034-06-0
trimethyl sulfoxonium chloride
- 676486-18-3
benzyl (S)-(4-(dimethyl(oxo)-λ6-sulfaneylidene)-3-oxobutan-2-yl)carbamate
| Conditions | Yield |
|---|---|
| Stage #1: trimethyl sulfoxonium chloride With potassium tert-butylate In tetrahydrofuran at 20℃; for 2h; Heating / reflux; Stage #2: (S)-2-benzyloxycarbonylamino-propionic acid methyl ester In tetrahydrofuran at 0℃; for 4h; | 97% |
| Stage #1: trimethyl sulfoxonium chloride With potassium tert-butylate In tetrahydrofuran at 60℃; for 2h; Stage #2: With Monomethyl terephthalate In tetrahydrofuran at 0℃; for 5h; Stage #3: (S)-2-benzyloxycarbonylamino-propionic acid methyl ester In tetrahydrofuran at 0℃; for 4h; | 77% |
| Stage #1: trimethyl sulfoxonium chloride With potassium tert-butylate In tetrahydrofuran for 2h; Heating; Stage #2: (S)-2-benzyloxycarbonylamino-propionic acid methyl ester In tetrahydrofuran at 0℃; for 4h; |
- 5034-06-0
trimethyl sulfoxonium chloride
- 39511-12-1
(E)-3-(furan-2-yl)-1-phenyl-2-propen-1-one
- 959936-93-7
[(1S,2S)-2-(2-furyl)cyclopropyl]phenylmethanone
| Conditions | Yield |
|---|---|
| Stage #1: trimethyl sulfoxonium chloride With sodium hydride In tetrahydrofuran for 5.5h; Heating; Stage #2: (E)-3-(furan-2-yl)-1-phenyl-2-propen-1-one With 4 A molecular sieve In tetrahydrofuran; toluene for 18h; Corey-Chaykovsky cyclopropanation; Further stages.; | 96% |
- 22966-19-4
trans-4'-methoxychalcone
- 5034-06-0
trimethyl sulfoxonium chloride
- 959936-90-4
(4-methoxyphenyl)[(1S,2S)-2-phenylcyclopropyl]methanone
| Conditions | Yield |
|---|---|
| Stage #1: trimethyl sulfoxonium chloride With sodium hydride In tetrahydrofuran for 5.5h; Heating; Stage #2: trans-4'-methoxychalcone With 4 A molecular sieve In tetrahydrofuran; toluene for 18h; Corey-Chaykovsky cyclopropanation; Further stages.; | 95% |
- 5034-06-0
trimethyl sulfoxonium chloride
| Conditions | Yield |
|---|---|
| Stage #1: trimethyl sulfoxonium chloride With potassium tert-butylate In tetrahydrofuran at 0 - 20℃; for 1h; Stage #2: ethyl 2-(6-(tritylamino)pyridin-3-yl)acrylate In tetrahydrofuran at 20℃; for 0.5h; | 95% |
| Stage #1: trimethyl sulfoxonium chloride With potassium tert-butylate In tetrahydrofuran at 0 - 20℃; for 1h; Stage #2: ethyl 2-(6-(tritylamino)pyridin-3-yl)acrylate In tetrahydrofuran at 2℃; for 0.5h; | 95% |
- 5034-06-0
trimethyl sulfoxonium chloride
- 39511-11-0
(E)-1-phenyl-3-(thiophen-2-yl)-2-propen-1-one
| Conditions | Yield |
|---|---|
| Stage #1: trimethyl sulfoxonium chloride With sodium hydride In tetrahydrofuran for 5.5h; Heating; Stage #2: (E)-1-phenyl-3-(thiophen-2-yl)-2-propen-1-one With 4 A molecular sieve In tetrahydrofuran; toluene for 18h; Corey-Chaykovsky cyclopropanation; Further stages.; | 94% |
Sulfonium, trimethyl-, chloride, S-oxide Specification
The systematic name of Sulfoxonium,trimethyl-, chloride (8CI,9CI) is Sulfonium, trimethyl-, chloride, S-oxide. With the CAS registry number 5034-06-0, it is also named as Trimethyloxosulfonium chloride. The product's categories are Small Molecule; C-C Bond Formation; Synthetic Reagents; Organic Building Blocks; Sulfonium / Sulfoxonium Compounds; Sulfur Compounds. It is white powder which should be sealed in the container and stored in the cool and dry place. In addition, the container should be filled with inert gas.
The other characteristics of this product can be summarized as: (1)#H bond acceptors: 1; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 0; (4)Polar Surface Area: 17.07 Å2; (5)Exact Mass: 128.006263; (6)MonoIsotopic Mass: 128.006263; (7)Topological Polar Surface Area: 18.1; (8)Heavy Atom Count: 6; (9)Formal Charge: 0; (10)Complexity: 53; (11)Covalently-Bonded Unit Count: 2.
Uses of Sulfoxonium,trimethyl-, chloride (8CI,9CI): It can react with 1-(4-chloro-benzenesulfonyl)-2-phenyl-aziridine to get 1-(4-chloro-benzenesulfonyl)-3-phenyl-azetidine. This reaction needs reagent 50percent aq. NaOH, tetrabutylammonium hydrogen sulphate and solvent CH2Cl2. The yield is 45%.
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When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES:[Cl-].O=[S+](C)(C)C
2. InChI:InChI=1/C3H9OS.ClH/c1-5(2,3)4;/h1-3H3;1H/q+1;/p-1
3. InChIKey:KQYWHJICYXXDSQ-REWHXWOFAE
The following are the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 180mg/kg (180mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02230, |
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