114772-54-2
4'-bromomethyl-2-cyanobiphenyl
CAS: 114772-54-2
Molecular Formula: C14H10BrN
114772-54-2 - Names and Identifiers
114772-54-2 - Physico-chemical Properties
| Molecular Formula | C14H10BrN |
| Molar Mass | 272.14 |
| Density | 1.43±0.1 g/cm3(Predicted) |
| Melting Point | 125-128 °C (lit.) |
| Boling Point | 413.2±38.0 °C(Predicted) |
| Flash Point | 203.7°C |
| Water Solubility | Insoluble in water |
| Vapor Presure | 0.1-0.2Pa at 20-25℃ |
| Appearance | Cream powder |
| Color | White to Almost white |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | 1.64 |
| MDL | MFCD00671503 |
| Physical and Chemical Properties | Melting point 125-128°C |
114772-54-2 - Risk and Safety
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. 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. R43 - May cause sensitization by skin contact |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves. 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 | 3439 |
| WGK Germany | 3 |
| HS Code | 29269090 |
| Hazard Note | Irritant |
| Hazard Class | 6.1 |
114772-54-2 - Reference Information
| LogP | 3.2 |
| introduction | 2-cyano-4'-bromomethylbiphenyl is the main intermediate in the synthesis of sartan drugs. Sartan antihypertensive drugs are widely used due to their advantages of less adverse reactions, good tolerance, high safety and compliance, and less damage to internal organs such as heart and kidney. |
| Use | 2-cyano-4'-bromomethylbiphenyl is used for the protein binding study of quinoxaline angiotensin II receptor antagonists. Sartan intermediates. |
| preparation | in a 250ml four-mouth flask, 60g(0.311mol) of 2-cyano -4 '-methylbiphenyl, 0.28g(0.00174mol) of N-hydroxyphthalimide, 180ml of dichloromethane and 20mL of water are added to prevent the hydrogen bromide generated in the reaction process from escaping and causing the conversion rate of raw materials to decrease, and the temperature is raised to 40 ℃, weigh 27.84g(0.174mol) of bromine in a 50mL constant pressure dropping funnel, illuminate the 8-watt LED lamp source, and add it in 1h. After dropping, weigh 29.58g(0.261mol) of 30% hydrogen peroxide, add 1h after dropping, and continue the reaction. TLC detection of raw materials after basically complete conversion, add sodium sulfite aqueous solution to quench the remaining bromine and hydrogen peroxide. After static stratification, the water layer is extracted twice with solvent, the organic phase is combined, the solvent is evaporated, and the product 2-cyano -4 '-bromomethylbiphenyl is recrystallized once with toluene to obtain 72.7g with 98.7% purity and 86% yield. |
Last Update：2024-04-09 21:04:16
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View History
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