- Rhodanine-3-acetic acid
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- $0.10 / 1KG
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2025-12-24
- CAS:5718-83-2
- Min. Order: 1KG
- Purity: 99.0%
- Supply Ability: 1000 tons
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| | Rhodanine-3-acetic acid Basic information |
| | Rhodanine-3-acetic acid Chemical Properties |
| Melting point | 145-148 °C (lit.) | | Boiling point | 375.4±44.0 °C(Predicted) | | density | 1.492 (estimate) | | refractive index | 1.5480 (estimate) | | storage temp. | Sealed in dry,Room Temperature | | solubility | methanol: soluble25mg/mL, clear, yellow | | pka | 3.75±0.10(Predicted) | | form | solid | | color | Off-White to Pale Beige | | BRN | 149513 | | InChI | InChI=1S/C5H5NO3S2/c7-3-2-11-5(10)6(3)1-4(8)9/h1-2H2,(H,8,9) | | InChIKey | JGRMXPSUZIYDRR-UHFFFAOYSA-N | | SMILES | S1CC(=O)N(CC(O)=O)C1=S | | CAS DataBase Reference | 5718-83-2(CAS DataBase Reference) | | EPA Substance Registry System | 3-Thiazolidineacetic acid, 4-oxo-2-thioxo- (5718-83-2) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38-41 | | Safety Statements | 26-36-39-25 | | WGK Germany | 3 | | F | 10-23 | | TSCA | TSCA listed | | HS Code | 29341000 | | Storage Class | 11 - Combustible Solids |
| | Rhodanine-3-acetic acid Usage And Synthesis |
| Chemical Properties | PALE YELLOW FINE CRYSTALINE POWDER | | Uses | 3-Rhodanineacetic Acid is an inhibitor for copper corrosion in acidic media. | | Synthesis | GENERAL METHOD: Glycine (1 mol), 22% sodium hydroxide solution and carbon disulfide (1 mol) were dissolved in 3 mL of water and placed in a microwave reactor (CEM Discover, Benchmate, USA) and reacted at 100°C for 5 min. After the reaction was completed, it was automatically cooled to 40 °C, sodium chloroacetate (1 mol) was added and the mixture was again reacted at 100 °C for 5 min. The reaction solution was cooled to 40 °C and concentrated. To the concentrate, 3 mL of hydrochloric acid was added and the reaction was continued at 110°C for 20-30 minutes. Upon completion of the reaction, the crude product was extracted with ethyl acetate and purified (refer to Nitsche and Klein, 2012 method). The product obtained was 2-(4-oxo-2-thioxothiazolidin-3-yl)acetic acid (2a) in 82.5% yield; melting point 245-247 °C; UV λmax 266, 215 nm; IR (KBr) νmax 3439, 1663, 1512, 1321, 896 cm-1; 1H NMR (DMSO-d6, 400 MHz): δ= 4.56 (2H, s, N-CH2), 4.41 (2H, s, H-5); 13C NMR (DMSO-d6, 100 MHz): δ= 202.80 (C=S, C-2), 173.72 (C=O, COOH), 167.29 (C=O, C-4), 44.77 (CH2, N-CH2), 35.94 ( CH2, C-5); elemental analysis (C5H5NO3S2) calculated values: C, 31.40; H, 2.64; N, 7.32. measured values: C, 31.55; H, 2.53; N, 7.22. | | References | [1] Archiv der Pharmazie, 2012, vol. 345, # 1, p. 73 - 80
[2] Medicinal Chemistry Research, 2016, vol. 25, # 5, p. 994 - 1004
[3] ACS Medicinal Chemistry Letters, 2018, vol. 9, # 4, p. 359 - 364
[4] Patent: WO2010/24783, 2010, A1. Location in patent: Page/Page column 79; 80
[5] Archives of Pharmacal Research, 2014, vol. 37, # 7, p. 852 - 861 |
| | Rhodanine-3-acetic acid Preparation Products And Raw materials |
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