98737-29-2
tert-Butyl [S-(R*,R*)]-(-)-(1-oxiranyl-2-phenylethyl)carbamate
CAS: 98737-29-2
Molecular Formula: C15H21NO3
98737-29-2 - Names and Identifiers
98737-29-2 - Physico-chemical Properties
| Molecular Formula | C15H21NO3 |
| Molar Mass | 263.33 |
| Density | 1.118±0.06 g/cm3(Predicted) |
| Melting Point | 125-127°C(lit.) |
| Boling Point | 398.8±25.0 °C(Predicted) |
| Specific Rotation(α) | -7°(23℃, c=0.6, CH3OH) |
| Flash Point | 195.01°C |
| Water Solubility | Insoluble in water. Soluble in Chloroform, Dichloromethane and Ethyl Acetate. |
| Vapor Presure | 0mmHg at 25°C |
| Appearance | powder to crystal |
| Color | White to Almost white |
| pKa | 12.19±0.46(Predicted) |
| Storage Condition | Inert atmosphere,Store in freezer, under -20°C |
| Refractive Index | 1.533 |
| MDL | MFCD02258997 |
| Use | It is used as a structural unit in the synthesis of HIV-1 protease inhibitors. It is used to synthesize (hydroxyethyl) urea peptides and aryl sulfonamides with anti-HIV activity. |
98737-29-2 - Risk and Safety
| Risk Codes | R10 - Flammable R36/37/38 - Irritating to eyes, respiratory system and skin. R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | S7/9 - S16 - Keep away from sources of ignition. 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. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S60 - This material and its container must be disposed of as hazardous waste. |
| UN IDs | UN 3077 9 / PGIII |
| WGK Germany | 3 |
| HS Code | 29242990 |
| Hazard Class | 9 |
| Packing Group | III |
98737-29-2 - Reference Information
| Use | 1-benzyl-2, 3-epoxy-n-propyl-carbamic acid tert-butyl ester as a white solid, it is a green chemical raw materials, commonly used in medicine, solvents, industrial cleaning agents, coatings and other fields. |
| synthetic method | compound 7 (3.0g, 10.0 mmol) and KOH (1.68g, 30.0 mmol) were added to 20 mL ethanol and cooled to about 5 °c. KOH in ethanol was gradually added to the mixture by stirring. The reaction was stirred for an additional hour and then concentrated in vacuo. The crude mixture was dissolved in 40 mL ethyl acetate, washed with water (30 mL) and brine (30 mL), dried over Na2SO4, filtered, and concentrated in vacuo for administration. White solid, yield 2.42g, 92%. 1 h NMR (TMS 400 MHz, CDCl3)δ(ppm) 1.38 (S, 9 h), 2.76 (br, 1 h),2.78 -2.81 (m, 1 h), 2.87-2.99 (m, 3 h), 3.70 (S, br, 1 h), 4.49 (S., br, 1 h), 7.21-7.31 (m, 5 h). 13C NMR (CDCl3) δ (ppm) 28.3, 37.6, 46.9, 52.6, 53.2, 128, 126.7, 136, 129.5,, 155.3. ESI-MS: C15H21NNaO3 [M + Na]+, molecular weight 286.1414, further confirmed that the compound was tert-butyl 1-benzyl-2, 3-epoxy-n-propyl-carbamate. |
Last Update：2024-04-10 22:29:15
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