(2-CARBOXYETHYL)DIMETHYLSULFONIUMCHLORIDE
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(2-CARBOXYETHYL)DIMETHYLSULFONIUMCHLORIDE
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CAS No:
4337-33-1
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Formula:
C5H11ClO2S
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Chemical Name:
(2-CARBOXYETHYL)DIMETHYLSULFONIUMCHLORIDE
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Synonyms:
DMPT;DMSP;DIMETHYL-BETA-PROPIOTHETIN;Dimethylsulfoniopropionate;DIMETHYLSULFONYLPROPIONATE;2-carboxyethyl(dimethyl)sulfanium;s,s-Dimethyl-β-propionicacidthetine;(2-CARBOXYETHYL)DIMETHYLSULFONIUMCHLORIDE;(2-CARBOXYETHYL)DIMETHYLSULFONIUMCHLORIDE98+%
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CAS No:
(2-CARBOXYETHYL)DIMETHYLSULFONIUMCHLORIDE Basic Attributes
170.66
170.016830
6GDD2X927T
83252
DTXSID80415714
2930909090
Safety Information
3
S24/25
OL5540000
Xi
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Drug Information
Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief. (See all compounds classified as Anti-Ulcer Agents.)
(2-carboxyethyl)dimethylsulfonium chloride
(2-CARBOXYETHYL)DIMETHYLSULFONIUMCHLORIDE Use and Manufacturing
General procedure: A solution of 0.99 g (15.9 mmol) of dimethylsulfide in 3 mL of acetonitrile was added with stirring to a solution of 0.5 g (5.3 mmol) of 2-chloroacetic acid in 5 mL of the same solvent at room temperature. After the reaction completion, colorless crystals were filtered off, washed repeatedly with diethyl ether and dried in a vacuum.a) Preparation of β-Dimethylsulfonopropionic Acid Chloride (1)Add 4mol 3-chloropropionic acid and 6mol dimethyl sulfide in the reaction flask, stir and heat to 40-50 ° C to dissolve the 3-chloropropionic acid in dimethyl sulfide, add 700ml of organic solvent acetone During the operation, methyl ethyl ketone or ethyl acetate may be used instead of acetone as the organic solvent), and stirring is continued for 20 hours while maintaining the temperature at 50 ° C. The mixture is cooled in a water bath to cool down to 25 ° C and suction filtered. The filter cake was recrystallized from 1000 ml of 95percent (mass fraction) ethanol to obtain white crystal A, which was β-dimethylsulfonopropionate chloride, weighing 156.5 g.Propionic acid (II) (84 g, 0.5 mol) and toluene (670 g) were added to the reactor, and the mixture was stirredAfter the mixture was stirred at room temperature for 4 hours, the reaction mixture was diluted with 5percent dilute hydrochloric acid (5 ml), and the mixture was stirred at room temperature for 1 hour. (I), methanesulfonic acid and hydrochloric acid solution, and then the mixed solution was adsorbed on the macroporous adsorption resin to remove the methanethiol Acid and hydrochloric acid to obtain an aqueous solution of dimethyl-β-propionate (I), which was evaporated to dryness to give the product dimethyl-β-propionate (I) as white powdery crystals 72. 3g, yield About 84.8percent.
(2-Carboxyethyl)dimethylsulfonium Chloride is the hydrochloride salt of Dimethylsulfoniopropionate (D479360), a metabolite produced primarily by marine phytoplankton and is the main precursor to the c limatically important gas dimethylsulfide (DMS).
Computed Properties
Molecular Weight:170.66
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:170.0168285
Monoisotopic Mass:170.0168285
Topological Polar Surface Area:38.3
Heavy Atom Count:9
Complexity:80.5
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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(2-CARBOXYETHYL)DIMETHYLSULFONIUMCHLORIDE
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