Identification | More | [Name]
N-CARBOXYETHYLRHODANINE | [CAS]
7025-19-6 | [Synonyms]
AURORA 4785 AKOS BBS-00002147 ART-CHEM-BB B023267 IFLAB-BB F1902-0020 TIMTEC-BB SBB009645 OTAVA-BB BB0123270320 Rhodaninepropionicacid N-CARBOXYETHYLRHODANINE rodanin-3-propionicacid Rodanin-3-propionic acid RHODANINE-3-PROPIONIC ACID N-(2-CARBOXYETHYL)RHODANINE 3-(2-Carboxyethyl)rhodanine Rhodanine-3-propionicAcid> 4-oxo-2-thioxo-3-thiazolidinepropionicaci 4-Oxo-2-thioxo-3-thiazolidinepropanoic acid 4-OXO-2-THIOXO-3-THIAZOLIDINEPROPIONIC ACID 4-oxo-2-thioxothiazolidine-3-propionic acid 3-(2-CARBOXYETHYL)-2-THIOXOTHIAZOLIDIN-4-ONE 3-Thiazolidinepropanoic acid, 4-oxo-2-thioxo- 3-Thiazolidinepropionic acid, 4-oxo-2-thioxo- 3-(4-Oxo-2-thioxothiazolidin-3-yl)propanoic acid 3-(4-OXO-2-THIOXO-THIAZOLIDIN-3-YL)-PROPIONIC ACID 3-(4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)PROPANOIC ACID 3-(4-Oxo-2-thioxo-3-thiazolidinyl)propionic acid, 95% 3-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic Acid | [EINECS(EC#)]
230-307-7 | [Molecular Formula]
C6H7NO3S2 | [MDL Number]
MFCD00022558 | [Molecular Weight]
205.25 | [MOL File]
7025-19-6.mol |
Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [RTECS ]
XJ6094060 | [HS Code ]
2934.10.9000 | [HazardClass ]
IRRITANT |
Hazard Information | Back Directory | [Synthesis]
Synthesis of 3-(4-oxo-2-thioxothiazolidin-3-yl)propionic acid (33): β-alanine 32 (3.4 g, 38.1 mmol) was dissolved in 17 mL of 22% potassium hydroxide solution, and the temperature of the reaction was controlled not to exceed 25 °C. Carbon disulfide (2.5 mL, 42 mmol) was added slowly and dropwise. The reaction mixture was stirred at room temperature. Subsequently, batchwise addition of bromoacetic acid (5.3 g, 38.1 mmol) was made over about 20 minutes, and the whole process was completed in about 3 hours. After addition, stirring was continued at room temperature for 3 hours, during which precipitation was observed. The pH of the reaction mixture was adjusted with concentrated hydrochloric acid to 3-4. After addition of sulfuric acid, the solution was stirred at room temperature overnight. The precipitate was collected by filtration and washed with water to give pure target compound 33 (3.52 g, 45% yield) as a yellow solid. Melting point 155-156 °C. 1H NMR (400 MHz, MeOD-d4) δ (ppm): 5.00 (brs, 1H), 4.22 (t, J = 7.5 Hz, 2H), 4.11 (s, 1H), 2.64 (t, J = 7.6 Hz, 2H). 13C NMR (100 MHz, MeOD-d4) δ (ppm): 202.58, 174.37, 172.87, 39.64, 35.08, 30.28. mass spectrum (ESI) m/z: 204.1 [M-H]+. Elemental analysis (C6H7NO3S2) Calculated values: C, 35.11; H, 3.44; N, 6.82. Measured values: C, 35.10; H, 3.48; N, 6.88. | [References]
[1] ChemMedChem, 2014, vol. 9, # 11, p. 2538 - 2547 [2] Patent: WO2011/39735, 2011, A2. Location in patent: Page/Page column 149-150 [3] ChemMedChem, 2014, vol. 9, # 11, p. 2538 - 2547 |
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Alfa Aesar
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400-6106006 |
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