33863-86-4

Basic information

• Product Name: 4-N-BUTOXYBENZOYL CHLORIDE
• Synonyms: 4-BUTOXYBENZOYL CHLORIDE;4-N-BUTYLOXYBENZOYL CHLORIDE;4-N-BUTOXYBENZOYL CHLORIDE;P-BUTOXYBENZOYL CHLORIDE;4-Butoxybenzoic acid chloride;p-Butoxybenzoyl Choride;benzoyl chloride, 4-butoxy-
• CAS NO: 33863-86-4
• Molecular Formula: C₁₁H₁₃ClO₂
• Molecular Weight: 212.67
• EINECS: 251-703-6
• Product Categories: Acid Halides;Carbonyl Compounds;Organic Building Blocks;Acid Halides;Building Blocks;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks
• Mol File: 33863-86-4.mol
• Article Data: 134

Chemical Properties

• Boiling Point: 160 °C8 mm Hg(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 1.122 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.000649mmHg at 25°C
• Refractive Index: n20/D 1.5495(lit.)
• Sensitive: Moisture Sensitive
• BRN: 957203
• CAS DataBase Reference: 4-N-BUTOXYBENZOYL CHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-N-BUTOXYBENZOYL CHLORIDE(33863-86-4)
• EPA Substance Registry System: 4-N-BUTOXYBENZOYL CHLORIDE(33863-86-4)

Safety Data

• Hazard Codes: C
• Statements: 34-36/37
• Safety Statements: 26-27-28-36/37/39-45
• RIDADR: UN 3265 8/PG 2
• WGK Germany: 3
• HazardClass: 8
• PackingGroup: II
• Hazardous Substances Data: 33863-86-4(Hazardous Substances Data)

Usage

Description

4-N-Butoxybenzoyl chloride, with the molecular formula C11H13ClO2, is a chemical compound derived from benzoic acid and classified as a benzoyl chloride. It is a colorless to pale yellow liquid with a pungent odor, known for its high reactivity with water and alcohols. As an important intermediate, it plays a significant role in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals, including the production of various drugs, dyes, and pigments. Due to its hazardous nature, it requires careful handling and storage to prevent skin, eye, and respiratory irritation.

Uses

Used in Pharmaceutical Industry:
4-N-Butoxybenzoyl chloride is used as a key intermediate in the synthesis of various drugs, contributing to the development of new pharmaceutical compounds for diverse medical applications.
Used in Agrochemical Industry:
4-N-BUTOXYBENZOYL CHLORIDE serves as a crucial building block in the production of agrochemicals, aiding in the creation of effective pesticides and other agricultural products to enhance crop protection and yield.
Used in Specialty Chemicals Industry:
4-N-Butoxybenzoyl chloride is utilized as an essential component in the manufacturing of specialty chemicals, including dyes and pigments, for various industrial applications that require specific color properties and performance characteristics.

InChI:InChI=1/C11H13ClO2/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3

Upstream product

• 4906-25-6 methyl 4-butyloxybenzoate 
• 99-76-3 methyl 4-hydroxylbenzoate 
• 5365-43-5 ethyl 4-butoxybenzoate 
• 120-47-8 Ethyl 4-hydroxybenzoate 
• 16782-08-4 sel de potassium de l'acide p-hydroxybenzoique 
• 99-96-7 4-hydroxy-benzoic acid 
• 1498-96-0 4-butoxybenzoic acid 

Downstream Products

• 67032-42-2 4-butoxy-benzoic acid-[β-(2-methyl-piperidino)-isopropyl ester]; hydrochloride 
• 67032-47-7 4-butoxy-benzoic acid-[3-(4-methyl-piperidino)-propylester]; hydrochloride 
• 63916-68-7 4-butoxy-benzoic acid-[3-(2-methyl-piperidino)-propyl ester] 
• 110331-48-1 4-butoxy-benzoic acid-(2,2-dimethyl-3-piperidino-propyl ester) 
• 96006-52-9 1-(4-butoxy-benzoyl)-thiosemicarbazide 
• 52964-41-7 4-butoxy-benzoic acid-(3-diethylamino-propyl ester) 
• 69819-21-2 4-butoxy-N-(5-nitro-thiazol-2-yl)-benzamide 
• 27906-52-1 C₂₉H₄₂N₂O₄ 
• 28099-22-1 1,4-Bicyclo<2,2,2>oktylen-di-p-butoxybenzoat 
• 64409-00-3 4-n-Hexylphenyl-4'-n-butyloxythiolbenzoate 
• 64357-81-9 (4-Butoxy-phenyl)-(4-butyl-phenyl)-methanone 
• 27857-03-0 trans-1,4-Cyclohexan-di-p-butoxybenzoat 
• 74439-07-9 4-Butoxy-thiobenzoic acid S-(4-cyano-phenyl) ester 
• 72997-48-9 2-(4-butoxy-phenyl)-5-(4-methoxy-phenyl)-thiazole 

Relevant articles and documents

Remarkably Efficient Iridium Catalysts for Directed C(sp2)-H and C(sp3)-H Borylation of Diverse Classes of Substrates

Here we describe the discovery of a new class of C-H borylation catalysts and their use for regioselective C-H borylation of aromatic, heteroaromatic, and aliphatic systems. The new catalysts have Ir-C(thienyl) or Ir-C(furyl) anionic ligands instead of the diamine-type neutral chelating ligands used in the standard C-H borylation conditions. It is reported that the employment of these newly discovered catalysts show excellent reactivity and ortho-selectivity for diverse classes of aromatic substrates with high isolated yields. Moreover, the catalysts proved to be efficient for a wide number of aliphatic substrates for selective C(sp3)-H bond borylations. Heterocyclic molecules are selectively borylated using the inherently elevated reactivity of the C-H bonds. A number of late-stage C-H functionalization have been described using the same catalysts. Furthermore, we show that one of the catalysts could be used even in open air for the C(sp2)-H and C(sp3)-H borylations enabling the method more general. Preliminary mechanistic studies suggest that the active catalytic intermediate is the Ir(bis)boryl complex, and the attached ligand acts as bidentate ligand. Collectively, this study underlines the discovery of new class of C-H borylation catalysts that should find wide application in the context of C-H functionalization chemistry.

Spiropyrane derivative with color, fluorescence and liquid crystal property triple switching effects as well as preparation method and application thereof

The invention discloses a spiropyrane derivative with color, fluorescence and liquid crystal property triple switching effects as well as a preparation method and application of the spiropyrane derivative. The spiropyrane derivative is prepared by esterification reaction of 1',3',3'-trimethyl-6-nitrospiro[benzopyran-2,2'-dihydroindole]-5', 8-diol and alkyl / alkoxy substituted benzoic acid with alkyl / alkoxy group at para-position or acrylate / methacrylate group at the chain end. The spiropyran derivative is used as a molecular switch in a smart material. The spiropyran derivative has responsiveness to light, heat, pH value and force, has triple switchable effects of color, fluorescence and liquid crystal property, has significant difference in response behaviors in different chemical environments, and is suitable for being used as a molecular switch in an intelligent material.

Synthesis and molecular docking studies of some novel antimicrobial benzamides

Common use of classical antibiotics has caused to the growing emergence of many resistant strains of pathogenic bacteria. Therefore, we aimed to synthesize a number of N-(2-hydroxy-(4 or 5)-nitrophenyl)benzamide derivatives as a new class of antimicrobial compounds. Moreover, our second goal is to predict the interaction between active structures and enzymes (DNA –gyrase and FtsA) in the binding mode. In this study, thirteen N-(2-hydroxy-(4 or 5-nitrophenyl)-substituted-benzamides were synthesized and determined for their antimicrobial activity using the microdilution method. According to this work, none of the compounds showed any activity against Candida albicans and its clinical isolate. Some of the benzamides (4N1, 5N1, 5N2) displayed very significant activity against Staphylococcus aureus and MSSA with 4 μg/ml MIC value, even they were found to be more potent than ceftazidime. 4N1 was also found to be more effective than gentamicin against Enterococcus faecalis clinical isolate. Molecular docking studies revealed that 4N1, 5N1, and 5N2 showed a good interactions with DNA-gyrase. Moreover, 5N1 has interacted with FtsA enzyme in the binding mode, as well. Only compound 5N4 displayed very good activity against Escherichia coli ATCC 25922. These findings showed us that 4N1, 5N1, 5N2, and 5N4 could be lead compounds to discover new antibacterial candidates against multidrug-resistant strains.