Methyl 3-mercaptopropionate
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Methyl 3-mercaptopropionate
structure -
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CAS No:
2935-90-2
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Formula:
C4H8O2S
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Chemical Name:
Methyl 3-mercaptopropionate
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Synonyms:
Propanoic acid,3-mercapto-,methyl ester;Propionic acid,3-mercapto-,methyl ester;Methyl 3-mercaptopropionate;Methyl β-mercaptopropionate;3-Mercaptopropionic acid methyl ester;Methyl 3-mercaptopropanoate;3-Mercaptopropanoic acid methyl ester;NSC 137814;3-Thiopropanoic acid methyl ester;β-Mercaptopropionic acid methyl ester;MPM (thiol);MPM;Methyl 3-mercaptopropionoate;3-Mercatopropropanoic acid methyl ester;Methyl 3-sulfanylpropanoate
- Categories:
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CAS No:
Methyl 3-mercaptopropionate Basic Attributes
120.17000
120.17
220-912-4
V920F0BCRZ
137814
DTXSID6027509
2930909090
Characteristics
65.10000
0.3
Liquid
1.08
38 °C @ Solvent: Diethyl ether, Ligroine
166 °C
60ºC
1.462-1.464
Soluble in water.
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool
1.97mmHg at 25°C
Safety Information
II
3
UN 1993 3/PG 3
3
R36/37/38
S26-S37/39
UA2465980
Xi
Stable under normal temperatures and pressures.
P260-P284-P310
H226-H302-H330
|Danger|H226 (52.94%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P264, P270, P271, P273, P280, P284, P301+P310, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P320, P321, P322, P330, P337+P313, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 90 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Methyl 3-mercaptopropionate Use and Manufacturing
Chlorotrimethylsilane (276 mL, 2.18 mol) was added slowly to a solution of 3-mercaptopropionic acid (70 g, 0.66 mol) in methanol (267 mL, 6.6 mol) at -10° C. The reaction mixture was then stirred for 1 h at 0° C. and for 1 h at room temperature. The mixture was neutralized with saturated aqueous sodium bicarbonate to pH 8 and extracted with dichloromethane (3.x.300 mL). The combined organic phase was washed with saturated aqueous sodium bicarbonate (2.x.200 mL), brine (2.x.200 mL), dried over magnesium sulfate, filtered and evaporated under reduced pressure. The residue was then distilled (70° C./20 mmHg) to give methyl 3-mercaptopropionate as a colorless oil (61.2 g) in the yield of 77percent.(100 ml) A 100 mL four-necked flask was charged with 1.2 g of triethylamine chitosan quaternary ammonium base catalyst and 40 mL of ethanol. After stirring, the mixture was heated to 80 ° C for 30 minutes and then passed to a reaction solution Hydrogen gas (1.2 L / h) and a solution of methyl acrylate (5 g diluted to 20 mL) was added dropwise.After the reaction for a period of time, the liquid phase, liquid quality and temperament analysis were carried out until the liquid phase detection showed that the product content was not changed after lh, and the hydrogen sulfide gas was stopped, the nitrogen gas was cooled to room temperature, The filtrate was subjected to vacuum distillation to collect a product having a boiling point of 68-70 ° C.The results showed that the conversion of methyl acrylate reached 100percent, the selectivity of methyl 3-mercaptopropionate was 95percent, and the yield was 93percent.
Methyl 3-Mercaptopropionate is used in the synthesis of thioisoindolinones.
Agricultural chemicals (non-pesticidal)
Pesticide, fertilizer, and other agricultural chemical manufacturing|Propanoic acid, 3-mercapto-, methyl ester: ACTIVE
Computed Properties
Molecular Weight:120.17
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:120.02450067
Monoisotopic Mass:120.02450067
Topological Polar Surface Area:27.3
Heavy Atom Count:7
Complexity:62.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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