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| Product Name: | O-METHYLISOUREA SULFATE | | Synonyms: | 2-METHYLPSEUDOUREA SULFATE;o-Methylisourea bisulfate,2-Methylpseudourea monosulfate (1:1), OMI;Methyl carbamimidate sulfate;o-Methylisourea bisulfate 99%;O-METHYLISOUREA HYDROGEN SULFATE;O-METHYLISOUREA SULFATE;O-METHYLISOUREA SULFATE SALT;OMIHS | | CAS: | 29427-58-5 | | MF: | C2H8N2O5S | | MW: | 172.16 | | EINECS: | 249-622-6 | | Product Categories: | | | Mol File: | 29427-58-5.mol |  |
| | O-METHYLISOUREA SULFATE Chemical Properties |
| Melting point | 118-120 °C (lit.) | | storage temp. | Inert atmosphere,Room Temperature | | Appearance | White to off-white Solid | | BRN | 3722928 | | InChI | InChI=1S/C2H6N2O.H2O4S/c1-5-2(3)4;1-5(2,3)4/h1H3,(H3,3,4);(H2,1,2,3,4) | | InChIKey | MDFRYRPNRLLJHT-UHFFFAOYSA-N | | SMILES | S(=O)(O)(O)=O.C(=N)(N)OC | | CAS DataBase Reference | 29427-58-5(CAS DataBase Reference) | | EPA Substance Registry System | Carbamimidic acid, methyl ester, sulfate (1:1) (29427-58-5) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36 | | WGK Germany | 3 | | TSCA | TSCA listed | | HS Code | 29252900 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | O-METHYLISOUREA SULFATE Usage And Synthesis |
| Application | O-methylisourea hydrogen sulfate is an amino salt that can be used as an intermediate for 5-fluorouracil. It can be used as an organic synthesis intermediate and a pharmaceutical intermediate, and is mainly used in laboratory research and development processes and chemical and pharmaceutical synthesis processes. | | Chemical Properties | White or off-white solid | | Synthesis | Preparation of Example 39: Synthesis of 1.3-dimethoxycarbonyl-O-methylisourea Procedure: 1. MeOH-H2SO4 solution was prepared by slowly adding sulfuric acid (112.7 g, 0.97 mol) to pre-cooled methanol (150 mL). 2. In another flask, cyanamide (50 g, 1.19 mol) was dissolved in methanol (100 mL) and cooled to about 5° C. in an ice water bath and cooled to about 5 °C. 3. The MeOH-H2SO4 solution was slowly added dropwise to the methanol solution of cyanamide while maintaining the reaction temperature at no more than 10 °C for 2 h. 4. After the dropwise addition was completed, the reaction mixture was continued to be stirred at the same temperature for 1 h. 5. At the end of the reaction, the solvent was removed by concentration in vacuum to afford O-methylisourea hydrogensulfate as a thick, syrupy product, assuming a yield of 1.5 mmol. syrupy product, assuming quantitative yield, which was used directly in the subsequent reaction. | | Purification Methods | Recrystallise the salt from MeOH/Et2O (327g of salt dissolved in 1L of MeOH and 2.5L of Et2O is added) [Fearing & Fox J Am Chem Soc 76 4382 1954 ]. The picrate has m 192o [Odo et al. J Org Chem 23 1319 1958]. [Beilstein 3 IV 143.] | | References | [1] Patent: US2004/254181, 2004, A1. Location in patent: Page 19 |
| | O-METHYLISOUREA SULFATE Preparation Products And Raw materials |
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