20651-71-2

Basic information

• Product Name: 4-Butylbenzoic acid
• Synonyms: RARECHEM AL BO 0542;P-BUTYLBENZOIC ACID;4-butyl-benzoicaci;Benzoic acid, 4-butyl-;p-n-Butylbenzoic acid;4-BUTYLBENZOIC ACID;4-N-BUTYLBENZOIC ACID;4-ButylbenzoicAcid,4BaC11H14O2
• CAS NO: 20651-71-2
• Molecular Formula: C₁₁H₁₄O₂
• Molecular Weight: 178.23
• EINECS: 243-940-9
• Product Categories: Liquid Crystal intermediates;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzoic Acids (Building Blocks for Liquid Crystals);Building Blocks for Liquid Crystals;Functional Materials;Building blockCarbonyl Compounds;C11 to C12;Carboxylic Acids;Liquid Crystals;Organic Electronics and Photonics;Liqiud crystal intermediates
• Mol File: 20651-71-2.mol
• Article Data: 28

Chemical Properties

• Melting Point: 100-113 °C(lit.)
• Boiling Point: 304.71°C (estimate)
• Flash Point: 141.6 °C
• Appearance: white crystalline powder
• Density: 1.0435 (estimate)
• Vapor Pressure: 0.000507mmHg at 25°C
• Refractive Index: 1.5201 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: 4.36±0.10(Predicted)
• Water Solubility: 148.2mg/L(temperature not stated)
• BRN: 2044046
• CAS DataBase Reference: 4-Butylbenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Butylbenzoic acid(20651-71-2)
• EPA Substance Registry System: 4-Butylbenzoic acid(20651-71-2)

Safety Data

• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 22-24/25-37/39-26
• WGK Germany: 3
• TSCA: Yes
• Hazardous Substances Data: 20651-71-2(Hazardous Substances Data)

Usage

Chemical Properties

WHITE CRYSTALLINE POWDER

Uses

Intermediates of Liquid Crystals

Synthesis Reference(s)

Journal of Medicinal Chemistry, 32, p. 1757, 1989 DOI: 10.1021/jm00128a016The Journal of Organic Chemistry, 51, p. 2880, 1986 DOI: 10.1021/jo00365a005Tetrahedron Letters, 36, p. 3111, 1995 DOI: 10.1016/0040-4039(95)00485-U

InChI:InChI=1/C11H14O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3,(H,12,13)/p-1

Upstream product

• 619-58-9 4-iodobenzoic acid 
• 1118-46-3 Trichlorbutylstannan 
• 693-03-8 n-butyl magnesium bromide 
• 586-76-5 4-Bromobenzoic acid 
• 15499-27-1 4-n-butylchlorobenzene 
• 124-38-9 carbon dioxide 
• 542-69-8 1-iodo-butane 
• 65-85-0 benzoic acid 
• 20651-67-6 4-butyliodobenzene 
• 15451-35-1 4-(but-3-en-1-yl)benzoic acid 
• 60834-63-1 p-butylbenzyl alcohol 
• 557-20-0 diethylzinc 
• 41492-05-1 p-bromobutylbenzene 
• 42930-39-2 n-butylzinc chloride 

Downstream Products

• 38444-22-3 4'-heptylphenyl-4-butylbenzoate 
• 38454-28-3 4-n-hexyloxyphenyl 4-n-butylbenzoate 
• 94142-23-1 trans-1-n-butyl-4-acetylcyclohexane 
• 40636-32-6 4-trans-butyl cyclohexane carbonitrile 
• 38289-36-0 4-Butyl-cyclohexanecarboxylic acid amide 
• 131918-85-9 ethyl cis-4-n-butylcyclohexanecarboxylate 
• 50793-90-3 4'-butyl-4-benzoyloxybenzaldehyde 
• 20651-69-8 methyl 4-(n-butyl)benzoate 
• 1398499-02-9 1-(1-((5-(4-butylphenyl)-1,3,4-oxadiazol-2-yl)methyl)-1H-benzimidazol-2-yl)-N-methylmethanamine 

Relevant articles and documents

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Cobalt-Catalyzed Deprotection of Allyl Carboxylic Esters Induced by Hydrogen Atom Transfer

A brief, efficient method has been developed for the removal of the allyl protecting group from allyl carboxylic esters using a Co(II)/TBHP/(Me2SiH)2O catalytic system. This facile strategy displays excellent chemoselectivity, functional group tolerance, and high yields. This transformation probably occurs through the hydrogen atom transfer process, and a Co(III)-six-membered cyclic intermediate is recommended.

Cobalt-catalyzed carboxylation of aryl and vinyl chlorides with CO2

The transition-metal-catalyzed carboxylation of aryl and vinyl chlorides with CO2 is rarely studied, and has been achieved only with a Ni catalyst or combination of palladium and photoredox. In this work, the cobalt-catalyzed carboxylation of aryl and vinyl chlorides and bromides with CO2 has been developed. These transformations proceed under mild conditions and exhibit a broad substrate scope, affording the corresponding carboxylic acids in good to high yields.

An outstanding catalyst for the oxygen-mediated oxidation of arylcarbinols, arylmethylene and arylacetylene compounds

A convenient and sustainable protocol for the aerobic oxidation of benzyl alcohols to carbonyl compounds, based on the use of 1,2,4-triazole-type ligands and nickel(ii) bromide, is described. This combination leads to the formation of an exceedingly active, enzyme-like system that allows for other oxidative processes, such as benzylic C-H oxidation and oxygen-mediated cleavage of C-C triple bond, a pioneering procedure for transformation of alkynes into carboxylic acids.