30131-16-9

Basic information

• Product Name: 4-(4-Phenylbutoxy)benzoic acid
• Synonyms: Benzoic acid,4-(4-phenylbutoxy)-;4-(4-phenyl-1-butoxy)benzoic acid;4-(4-Phenylbutoxy)benzoic acid (Pranlukast);4-(4-PHENYLBUTOXY)BENZOIC ACID;4-(4-phenylbutoxy)benzoic acid (intermediate of pranlukast);P-Phenylbutoxybenzoic acid;4-(4-Phenylbutoxy)be
• CAS NO: 30131-16-9
• Molecular Formula: C₁₇H₁₈O₃
• Molecular Weight: 270.32
• Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Organic acids;(intermediate of pranlukast)
• Mol File: 30131-16-9.mol
• Article Data: 15

Chemical Properties

• Melting Point: 129.0 to 133.0 °C
• Boiling Point: 454.264 °C at 760 mmHg
• Flash Point: 166.704 °C
• Appearance: White crystalline powder
• Density: 1.145 g/cm³
• Vapor Pressure: 1.91E-08mmHg at 25°C
• Refractive Index: 1.564
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: Chloroform (Slightly), DMSO (Slightly)
• PKA: 4.47±0.10(Predicted)
• CAS DataBase Reference: 4-(4-Phenylbutoxy)benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4-Phenylbutoxy)benzoic acid(30131-16-9)
• EPA Substance Registry System: 4-(4-Phenylbutoxy)benzoic acid(30131-16-9)

Safety Data

• Hazardous Substances Data: 30131-16-9(Hazardous Substances Data)

Usage

General Description

4-(4-Phenylbutoxy)benzoic acid is a chemical compound with the molecular formula C21H20O3. It is a derivative of benzoic acid with a phenylbutoxy group attached to the fourth position of the benzene ring. 4-(4-Phenylbutoxy)benzoic acid is commonly used in the synthesis of pharmaceuticals and has been studied for its potential therapeutic applications. It may also have potential uses in the development of new materials and chemical compounds. Additionally, 4-(4-Phenylbutoxy)benzoic acid is known for its strong affinity towards binding with certain receptors in the body, leading to potential effects on biological systems. Overall, this compound has a range of potential applications in the fields of medicine, materials science, and chemical research.

InChI:InChI=1/C17H18O3/c1-2-3-12-20-16-10-8-14(9-11-16)13-4-6-15(7-5-13)17(18)19/h4-11H,2-3,12H2,1H3,(H,18,19)

Upstream product

• 136450-05-0 methyl 4-(4-Phenylbutoxy)benzoate 
• 4830-93-7 1-Chloro-4-phenylbutane 
• 99-76-3 methyl 4-hydroxylbenzoate 
• 3360-41-6 4-phenyl-butan-1-ol 
• 623-03-0 4-Cyanochlorobenzene 
• 138631-41-1 4-(4-phenylbutoxy)benzonitrile 
• 13633-25-5 1-Bromo-4-phenylbutane 
• 1589-82-8 phenylmagnesium bromide 
• 99-96-7 4-hydroxy-benzoic acid 
• 108-90-7 chlorobenzene 
• 108-86-1 bromobenzene 
• 10229-11-5 4-phenyl-but-3-yn-1-ol 
• 939-52-6 4-chloro-1-phenylbutan-1-one 
• 120-47-8 Ethyl 4-hydroxybenzoate 

Downstream Products

• 103177-37-3 pranlukast 
• 103176-67-6 ONO-RS-347 
• 108807-05-2 4-(4-phenyl-1-butoxy)benzoyl chloride 
• 136450-06-1 3-[4-(4-phenyl-1-butoxy)benzoyl]amino-2-hydroxyacetophenone 
• 136450-08-3 ethyl 4-oxo-8-(4-(4-phenylbutoxy)benzamido)chromene-2-carboxylate 

Relevant articles and documents

Preparation method of 4-(4-phenylbutoxy) benzoic acid

The invention relates to a preparation method of 4-(4-phenylbutoxy) benzoic acid, which specifically comprises the following steps: a, performing a reaction on gamma-chlorobutanone with p-hydroxybenzoate under the catalysis of alkali to generate a compoun

Preparation method of p-phenylbutoxybenzoic acid

The invention discloses a preparation method of p-phenylbutoxybenzoic acid. The preparation method comprises the following steps: using tetrahydrofuran as an initial raw material; carrying out a catalytic reaction with benzoyl chloride to prepare 4-chlorobutanol benzoate; carrying out a Friedel-Crafts alkylation reaction and hydrolysis on 4-chlorobutanol benzoate and benzene to obtain 4-phenylbutanol, carrying out a reaction on the 4-phenylbutanol and thionyl chloride to obtain 4-phenylchlorobutane, carrying out an alkylation reaction on the 4-phenylchlorobutane and methyl p-hydroxybenzoate under the action of potassium carbonate to obtain methyl p-phenylbutoxybenzoate. The raw materials used in the invention are cheap and easily available, the process is easy to realize industrialization,and the obtained final product has the advantages of high purity, novel route, short synthesis route, no dangerous process and simple equipment.

Preparation method for p-phenylbutoxybenzoic acid

The invention provides a preparation method for p-phenylbutoxybenzoic acid, belonging to the field of organic synthesis. According to the invention, palladium-based catalytic coupling is adopted, andthe Grignard reaction and the Friedel-Craft reaction are avoided, thereby avoiding the production of blue-green copper ion wastewater and generation of a large amount of acidic wastewater due to usageof aluminum trichloride; the preparation method of the invention is friendly to environment, simple in synthesis route and high in the yield of each step; and halogeno-benzene is used for replacing more expensive phenylmagnesium bromide and used as a starting material, so the preparation cost of p-phenylbutoxybenzoic acid is lowered. The p-phenylbutoxybenzoic acid obtained in the invention has good crystal form, high purity and good solubility. The data of embodiments of the invention show that the total yield of p-phenylbutoxybenzoic acid prepared in the invention is 60% or above, and the HPLC purity of p-phenylbutoxybenzoic acid is 99.9% or above.