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Cas Database |
| Name |
(2-Carboxyethyl)dimethylsulfonium Chloride |
EINECS | 201-081-7 |
| CAS No. | 4337-33-1 | Density | N/A |
| PSA | 62.60000 | LogP | -2.65700 |
| Solubility | N/A | Melting Point |
129 °C |
| Formula | C5H11ClO2S | Boiling Point | N/A |
| Molecular Weight | 170.66 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Sulfonium, (2-carboxyethyl)dimethyl-, chloride (8CI,9CI);(2-Carboxyethyl)dimethylsulfoniumchloride (6CI,7CI);Dimethyl-b-propiothetin chloride;Dimethyl-b-propiothetin hydrochloride;b-Propiothetin, dimethyl-,hydrochloride; |
Article Data | 8 |
(2-Carboxyethyl)dimethylsulfonium Chloride Synthetic route
- 107-94-8
chloropropionic acid
- 75-18-3
dimethylsulfide
- 4337-33-1
(2‐carboxyethyl)dimethylsulfonium chloride
| Conditions | Yield |
|---|---|
| In acetonitrile at 20℃; for 168h; Solvent; | 59.71% |
| In acetone at 40 - 50℃; for 20h; Solvent; | 156.5 g |
- 57-57-8
β-Propiolactone
- 75-18-3
dimethylsulfide
- 75-52-5
nitromethane
- 4337-33-1
(2‐carboxyethyl)dimethylsulfonium chloride
| Conditions | Yield |
|---|---|
| anschl. mit HCl; |
- 57-57-8
β-Propiolactone
- 75-18-3
dimethylsulfide
- 75-05-8
acetonitrile
- 4337-33-1
(2‐carboxyethyl)dimethylsulfonium chloride
| Conditions | Yield |
|---|---|
| anschl. mit HCl; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride In acetone at 0 - 20℃; | |
| With hydrogenchloride In dichloromethane at -80 - 20℃; for 0.5h; Michael Addition; |
- 75-18-3
dimethylsulfide
- 1259387-79-5
3-(methanesulfonyloxy)propionic acid
- 4337-33-1
(2‐carboxyethyl)dimethylsulfonium chloride
| Conditions | Yield |
|---|---|
| Stage #1: dimethylsulfide; 3-(methanesulfonyloxy)propionic acid In toluene at 20℃; for 4h; Stage #2: With hydrogenchloride In water; toluene at 20℃; for 1h; Temperature; | 72.3 g |
- 74-87-3
methylene chloride
- 646-01-5
3-(methylsulfanyl)propionic acid
- 4337-33-1
(2‐carboxyethyl)dimethylsulfonium chloride
| Conditions | Yield |
|---|---|
| In ethyl acetate at 2℃; for 4.25h; Time; | 135.9 g |
- 4337-33-1
(2‐carboxyethyl)dimethylsulfonium chloride
- 950816-92-9
1-hydroxy-3-(dimethylsulfonium-1-yl)propylidene-1,1-bisphosphonic acid
| Conditions | Yield |
|---|---|
| With phosphoric acid; pyridine hydrochloride; phosphorus trichloride at 70℃; for 4h; | 172 mg |
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate In water at 0℃; Reagent/catalyst; | 80 g |
(2-Carboxyethyl)dimethylsulfonium Chloride Specification
The Sulfonium,(2-carboxyethyl)dimethyl-, chloride (1:1), with the CAS registry number 4337-33-1, is also known as (2-Carboxyethyl)(dimethyl)sulfonium chloride. It belongs to the product categories of Iodonium Sulfonium & Oxonium Compounds; Sulfonium Compounds. This chemical's molecular formula is C5H11ClO2S and molecular weight is 170.66. What's more, its IUPAC name is called 2-Carboxyethyl(dimethyl)sulfanium chloride. It should be kept in a cold, airtight and dry place.
Physical properties about Sulfonium,(2-carboxyethyl)dimethyl-, chloride (1:1) are: (1) #H bond acceptors: 2; (2) #H bond donors: 1; (3) #Freely Rotating Bonds: 3; (4) Polar Surface Area: 26.3 Å2; (5) Melting Point: 129 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [Cl-].O=C(O)CC[S+](C)C
(2) InChI: InChI=1/C5H10O2S.ClH/c1-8(2)4-3-5(6)7;/h3-4H2,1-2H3;1H
(3) InChIKey: RRUMKKGRKSSZKY-UHFFFAOYAN
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