57802-79-6

Basic information

• Product Name: 4-N-BUTYLBENZYLAMINE
• Synonyms: RARECHEM AL BW 0568;4-N-BUTYLBENZYLAMINE;4-BUTYLBENZYLAMINE;4-n-Butylbenzylamine,99%;4-n-Butylbenzylamine, 98+%
• CAS NO: 57802-79-6
• Molecular Formula: C₁₁H₁₇N
• Molecular Weight: 163.26
• Product Categories: Anilines, Aromatic Amines and Nitro Compounds
• Mol File: 57802-79-6.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 89-91°C 1mm
• Flash Point: 89-91°C/1mm
• Appearance: /
• Density: 0,969 g/cm3
• Vapor Pressure: 0.0153mmHg at 25°C
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• PKA: 9.20±0.10(Predicted)
• Sensitive: Air Sensitive
• CAS DataBase Reference: 4-N-BUTYLBENZYLAMINE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-N-BUTYLBENZYLAMINE(57802-79-6)
• EPA Substance Registry System: 4-N-BUTYLBENZYLAMINE(57802-79-6)

Safety Data

• Statements: 20/21/22-34
• Safety Statements: 26-36/37/39
• RIDADR: 2735
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 57802-79-6(Hazardous Substances Data)

Usage

General Description

4-N-Butylbenzylamine is an organic compound with the chemical formula C11H17N. It is a substituted amine, meaning it has a butyl group attached to the nitrogen atom. This chemical is commonly used in the synthesis of various pharmaceuticals and agrochemical products. It is also used as an intermediate in the production of dyes, surfactants, and other organic chemicals. 4-N-Butylbenzylamine is a clear liquid at room temperature and is slightly soluble in water. It is important to handle this chemical with care, as it may cause irritation to the skin, eyes, and respiratory system if exposed to high concentrations.

InChI:InChI=1/C11H17N/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-8H,2-4,9,12H2,1H3/p+1

Upstream product

• 107377-07-1 4-n-butylbenzamide 
• 1200-14-2 4-(n-butyl)benzaldehyde 

Downstream Products

• 210115-56-3 {3-[(4-butyl-benzylamino)-methyl]-phenyl}-acetic acid methyl ester 
• 223490-91-3 (3-{[(4-butyl-benzyl)-(1-methyl-1H-imidazole-4-sulfonyl)-amino]-methyl}-phenyl)-acetic acid methyl ester 
• 1418008-75-9 C₂₂H₂₅FeN 
• 1394122-50-9 C₃₂H₄₇N₇O₂S 

Relevant articles and documents

Mechanistic Study and Development of Catalytic Reactions of Sm(II)

Samarium diiodide (SmI2) is one of the most widely used single-electron reductants available to organic chemists because it is effective in reducing and coupling a wide range of functional groups. Despite the broad utility and application of SmI2 in synthesis, the reagent is used in stoichiometric amounts and has a high molecular weight, resulting in a large amount of material being used for reactions requiring one or more equivalents of electrons. Although few approaches to develop catalytic reactions have been designed, they are not widely used or require specialized conditions. As a consequence, general solutions to develop catalytic reactions of Sm(II) remain elusive. Herein, we report mechanistic studies on catalytic reactions of Sm(II) employing a terminal magnesium reductant and trimethylsilyl chloride in concert with a noncoordinating proton donor source. Reactions using this approach permitted reductions with as little as 1 mol % Sm. Mechanistic studies provide strong evidence that during the reaction, SmI2 transforms into SmCl2, therefore broadening the scope of accessible reactions. Furthermore, this mechanistic approach enabled catalysis employing HMPA as a ligand, facilitating the development of catalytic Sm(II) 5-exo-trig ketyl olefin cyclization reactions. The initial work described herein will enable further development of both useful and user-friendly catalytic reactions, a long-standing, but elusive goal in Sm(II) chemistry.

New efficient substrates for semicarbazide-sensitive amine oxidase/VAP-1 enzyme: Analysis by SARs and computational docking

Structure activity relationships for semicarbazide-sensitive amine oxidase/vascular adhesion protein-1 (SSAO/VAP-1) were studied using a library of arylalkylamine substrates, with the aim of contributing to the discovery of more efficient SSAO substrates. Experimental data were contrasted with computational docking studies, thereby allowing us to examine the mechanism and substrate-binding affinity of SSAO and thus contribute to the discovery of more efficient SSAO substrates and provide a structural basis for their interactions. We also built a model of the mouse SSAO structure, which provides several structural rationales for interspecies differences in SSAO substrate selectivity and reveals new trends in SSAO substrate recognition. In this context, we identified novel efficient substrates for human SSAO that can be used as a lead for the discovery of antidiabetic agents.