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| | N,N'-Diisopropylthiourea Basic information |
| Product Name: | N,N'-Diisopropylthiourea | | Synonyms: | N,N’-bis(1-methylethyl)-Thiourea;SYM-DIISOPROPYLTHIOUREA;N,N'-Diisopropylthiorea;N,N''-DITORTBUTTHIOUREA;1,3-DIISOPROPYL-2-THIOUREA;1,3-di(propan-2-yl)thiourea;N,N,-Dis(1-methylethyl)-Thiourea;N,N'-DIISOPROPYLTHIOUREA, PRACT | | CAS: | 2986-17-6 | | MF: | C7H16N2S | | MW: | 160.28 | | EINECS: | 221-051-7 | | Product Categories: | Sulfur Compounds;Thioureas;Organic Building Blocks | | Mol File: | 2986-17-6.mol |  |
| | N,N'-Diisopropylthiourea Chemical Properties |
| Melting point | 143-145 °C (lit.) | | Boiling point | 110°C (rough estimate) | | density | 1.0247 (rough estimate) | | refractive index | 1.6000 (estimate) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | solubility | Chloroform (Sparingly), Methanol (Slightly) | | pka | 13.93±0.70(Predicted) | | form | Solid | | color | White | | InChI | InChI=1S/C7H16N2S/c1-5(2)8-7(10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10) | | InChIKey | KREOCUNMMFZOOS-UHFFFAOYSA-N | | SMILES | N(C(C)C)C(NC(C)C)=S | | CAS DataBase Reference | 2986-17-6(CAS DataBase Reference) | | NIST Chemistry Reference | Thiourea, n,n'-bis(1-methylethyl)-(2986-17-6) | | EPA Substance Registry System | Thiourea, N,N'-bis(1-methylethyl)- (2986-17-6) |
| Hazard Codes | T | | Risk Statements | 23/24/25 | | Safety Statements | 27-28-36/37/39-45 | | WGK Germany | 3 | | RTECS | YS9860000 | | TSCA | TSCA listed | | HS Code | 29309090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral |
| | N,N'-Diisopropylthiourea Usage And Synthesis |
| Chemical Properties | White to light yellow solid | | Uses | N,N''-Diisopropylthiourea is a reagent for the improved synthesis of cefathiamidine. Studies on the chemical nature of the thyroid inhibiting actions of compounds. Design and testing of antithyroid agents with decreased antioxidant activity. | | Synthesis | To a 50 mL round-bottomed flask equipped with a magnetic stirrer, carbon disulfide (5 mmol) and isopropylamine (10 mmol) were sequentially added under ice bath cooling conditions, followed by water (5 mL). The flask was sealed and the reaction mixture was vigorously stirred at room temperature. The progress of the reaction was monitored by thin layer chromatography (TLC with 10% methanol/chloroform or ethyl acetate/hexane solvent mixture as the unfolding agent). Upon completion of the reaction, for the unconsolidated reaction mixture, the water was removed under reduced pressure by rotary evaporator to obtain the solid product; for the reactions of entries 7, 9, 10, 11, 14, and 15, the reaction mixture self-consolidated at the completion of the reaction. The resulting solid product was purified by recrystallization from ethanol or solvent washing with ethyl acetate/hexane mixture. | | References | [1] Synthetic Communications, 2015, vol. 45, # 2, p. 236 - 244
[2] Synthetic Communications, 2015, vol. 45, # 3, p. 376 - 385
[3] Journal of Heterocyclic Chemistry, 2016, vol. 53, # 2, p. 588 - 594
[4] Patent: US2849420, 1953, |
| | N,N'-Diisopropylthiourea Preparation Products And Raw materials |
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