4-(4-ETHYLPHENYL)BENZOIC ACID

Base Information

• Chemical Name: 4-(4-ETHYLPHENYL)BENZOIC ACID
• CAS No.: 5731-13-5
• Molecular Formula: C15H14O2
• Molecular Weight: 226.275
• Hs Code.: 29163900
• Mol file: 5731-13-5.mol

Synonyms:4-Biphenylcarboxylicacid, 4'-ethyl- (7CI,8CI);4-(4-Ethylphenyl)benzoic acid;4-Ethylbiphenyl-4'-carboxylic acid;4'-Ethyl-1,1'-biphenyl-4-carboxylic acid;4'-Ethyl-4-biphenylcarboxylic acid;

Chemical Property of 4-(4-ETHYLPHENYL)BENZOIC ACID

Chemical Property:

• Appearance/Colour: white to cream solid
• Melting Point: 221°C
• Refractive Index: 1.6530 (estimate)
• Boiling Point: 389.8 °C at 760 mmHg
• PKA: 4.22±0.10(Predicted)
• Flash Point: 180.5 °C
• PSA: 37.30000
• Density: 1.13g/cm³
• LogP: 3.61420
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

4-(4-Ethylphenyl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-36-26

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(4-ETHYLPHENYL)BENZOIC ACID

There total 12 articles about 4-(4-ETHYLPHENYL)BENZOIC ACID which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.0%

4-Bromobenzoic acid (586-76-5) + 4-ethylphenylboronic acid (63139-21-9) → 4-(4-ethylphenyl)benzoic acid (5731-13-5)

Guidance literature:

With 2C₂H₅NO₂*Pd⁽²⁺⁾*2Cl^(1-); potassium carbonate; In water; at 20 ℃; for 1.5h; Green chemistry;

DOI:10.1039/c3ob42517g

Reference yield: 90.0%

2-(4'-acetylbiphenyl-4-yl)-5-phenyl-1,3,4-oxadiazole (128860-87-7) → 4-(4-ethylphenyl)benzoic acid (5731-13-5)

Guidance literature:

With phosphorus; hydrogen iodide; In acetic acid; for 15h; Heating;

Reference yield: 70.0%

4-ethylphenylboronic acid (63139-21-9) + para-chlorobenzoic acid (74-11-3) → 4-(4-ethylphenyl)benzoic acid (5731-13-5)

Guidance literature:

With C₂₂H₂₈Cl₂O₄PdS₂; caesium carbonate; In ethanol; at 78 ℃; for 4h;

DOI:10.1016/j.poly.2016.05.046

upstream raw materials:

4-ethyl-4'-cyanobiphenyl

2-(4'-acetylbiphenyl-4-yl)-5-phenyl-1,3,4-oxadiazole

1-(4'-ethyl-[1,1'-biphenyl]-4-yl)ethan-1-one

4-iodobenzoic acid

Downstream raw materials:

3-(R)-amino-2-(S)-[(4'-ethylbiphenyl-4-carbonyl)amino]butyric acid methyl ester

3-(R)-amino-2-(S)-[(4’-ethylbiphenyl-4-carbonyl)amino]butylhydroxamic acid hydrochloride

N-[(1S)-1-[(acetylamino)methyl]-2-(hydroxyamino)-2-oxoethyl]-4'-ethyl-1,1'-biphenyl-4-carboxamide

Refernces

• 1、 Sabounchei,Yousefi,Ahmadianpoor,Hashemi,Bayat,Sedghi,Bagherjeri,Gable. "A new Pd(II) complex of a sulfur ylide; Synthesis, X-ray characterization, theoretical study and catalytic activity toward the Suzuki-Miyaura reaction". . p. 273 - 282. Retrieved 2016/07/06.
• 2、 Sabounchei, Seyyed Javad,Pourshahbaz, Mahbubeh,Hashemi, Ali,Ahmadi, Mohsen,Karamian, Roya,Asadbegy, Mostafa,Khavasi, Hamid Reza. "Synthesis and structural characterization of dimeric phosphine ylide Cu(I) complexes: Application in Suzuki cross-coupling reactions and biological evaluation as antibacterial agents". . p. 111 - 119. Retrieved 2014/05/06.