4-(4-N-BUTYLPHENYL)BENZOIC ACID

4-(4-N-BUTYLPHENYL)BENZOIC ACID - Names and Identifiers

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)

4-(4-N-BUTYLPHENYL)BENZOIC ACID - Physico-chemical Properties

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.

4-(4-N-BUTYLPHENYL)BENZOIC ACID - Risk and Safety

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.

4-(4-N-BUTYLPHENYL)BENZOIC ACID - Upstream Downstream Industry

Raw Materials

1-Bromo-4-butylbenzene
4'-Butyl-4-biphenylcarbonitrile
4-(METHOXYCARBONYL)PHENYLBORONIC ACID

4-(4-N-BUTYLPHENYL)BENZOIC ACID - Nature

storage conditions	Sealed in dry,Room Temperature
acidity coefficient (pKa)	4.22±0.10(Predicted)

Last Update：2024-04-10 22:29:15

4-(4-N-BUTYLPHENYL)BENZOIC ACID - Preparation method

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.

Last Update：2024-04-10 22:29:15