| Identification | More | [Name]
O-METHYLISOUREA SULFATE | [CAS]
29427-58-5 | [Synonyms]
2-METHYLPSEUDOUREA SULFATE
O-METHYLISOUREA HYDROGEN SULFATE
O-METHYLISOUREA SULFATE
O-METHYLISOUREA SULFATE SALT
OMIHS
OMI HYDROGEN SULFATE
carbamimidicacid,methylester,sulfate(1:1)
O-Methylisourea bisulfate
O-Methylisourea monosulfate (1:1)
O-methylisourea hydrogen.sulphate
2-methylpseudourea monosulfate (1:1)
carbamimidic acid, methyl ester, sulfate
2-Methylpseudourea monosulfate (1:1), OMI
O-Methylisourea·sulfuric acid | [EINECS(EC#)]
249-622-6 | [Molecular Formula]
C2H8N2O5S | [MDL Number]
MFCD00013132 | [Molecular Weight]
172.16 | [MOL File]
29427-58-5.mol |
| Chemical Properties | Back Directory | [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) |
| 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:Wear suitable protective clothing . | [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 |
| Hazard Information | Back Directory | [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 |
| Questions And Answer | Back Directory | [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. |
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