Name | 4'-butylbiphenyl-4-carboxylic acid |
Synonyms | RARECHEM AL BO 0889 4-Butyl-4''-carboxybiphenyl 4-(4-N-BUTYLPHENYL)BENZOIC ACID 4'-butylbiphenyl-4-carboxylic acid [1,1'-Biphenyl]-4-carboxylic acid, 4'-butyl- |
CAS | 59662-46-3 |
InChI | InChI=1/C17H18O2/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(18)19/h5-12H,2-4H2,1H3,(H,18,19) |
Molecular Formula | C17H18O2 |
Molar Mass | 254.32 |
Density | 1.091g/cm3 |
Boling Point | 413.5°C at 760 mmHg |
Flash Point | 192.9°C |
Vapor Presure | 1.41E-07mmHg at 25°C |
Storage Condition | Room Temprature |
Refractive Index | 1.571 |
Use | P-butylbiphenylcarboxylic acid belongs to 4 '-N-alkyl biphenyl-4-carboxylic acid. As an important intermediate in organic synthesis, it is widely used in liquid crystals, functional polymer materials, surfactants, drug synthesis and other fields. |
Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | 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. |
Raw Materials | 1-Bromo-4-butylbenzene 4'-Butyl-4-biphenylcarbonitrile 4-(METHOXYCARBONYL)PHENYLBORONIC ACID |
storage conditions | Sealed in dry,Room Temperature |
acidity coefficient (pKa) | 4.22±0.10(Predicted) |
degassing the solution of 1-bromo -4-n-butylbenzene (100g,0.472mol), 4-(methoxycarbonyl) phenylboronic acid (82.0g,0.46mol), 2 MNaCO3(150g,1.42mol) in toluene/EtOH(900mL/300mL) with N for three times, and then adding Pd(PPh)4(27.2g,23.6mmol). The resulting mixture was degassing with N three times and then heated to reflux for 5 hours. After TLC shows that the reaction is complete, toluene and EtOH are removed under vacuum. The residue (x3) was extracted with EA. The combined organic layers were washed with brine and dried with NaSO4. Remove the solvent to get the crude product. The crude product was purified by silica gel column chromatography (eluted with PE, PE:EA(150:1)). The solvent was removed to obtain p-butyl bibenzoic acid (105g,86.0%) as a white solid.