5198-05-0

Basic information

• Product Name: AKOS BBB/086
• Synonyms: ASISCHEM D19393;AKOS BBB/086;[4-(3-Methylbutoxy)phenyl]amine;(4-isoamoxyphenyl)amine;4-(3-Methylbutoxy)benzenamine;ANILINE, p-(ISOPENTYLOXY)-;Benzenamine, 4-(3-methylbutoxy)- (9CI);p-(Isoamyloxy)aniline
• CAS NO: 5198-05-0
• Molecular Formula: C₁₁H₁₇NO
• Molecular Weight: 179.26
• Mol File: 5198-05-0.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 287.7°Cat760mmHg
• Flash Point: 125.4°C
• Appearance: /
• Density: 0.984g/cm³
• Vapor Pressure: 0.00244mmHg at 25°C
• Refractive Index: 1.523
• PKA: 5.24±0.10(Predicted)
• CAS DataBase Reference: AKOS BBB/086(CAS DataBase Reference)
• NIST Chemistry Reference: AKOS BBB/086(5198-05-0)
• EPA Substance Registry System: AKOS BBB/086(5198-05-0)

Safety Data

• Hazardous Substances Data: 5198-05-0(Hazardous Substances Data)

Usage

InChI:InChI=1/C11H17NO/c1-9(2)7-8-13-11-5-3-10(12)4-6-11/h3-6,9H,7-8,12H2,1-2H3

Upstream product

• 7244-79-3 1-(isopentyloxy)-4-nitrobenzene 
• 81928-78-1 N-(4-(isopentyloxy)phenyl)acetamide 
• 910-86-1 isoxyl 
• 107-82-4 i-pentyl bromide 
• 103-90-2 4-acetaminophenol 
• 100-02-7 4-nitro-phenol 
• 870-63-3 prenyl bromide 

Downstream Products

• 4847-53-4 5,4'-Diisopentyloxy-2-nitro-diphenylamin 
• 4793-92-4 4'-Isopentyloxy-5-methoxy-2-nitro-diphenylamin 
• 96265-77-9 2-Brom-3-(4-isopentyloxy-anilino)-α-naphthochinon 
• 95949-11-4 2-(4-Isopentyloxy-anilino)-α-naphthochinon 
• 15068-97-0 1-isothiocyanato-4-(3-methyl-butoxy)-benzene 
• 910-86-1 isoxyl 
• 116296-19-6 4-hydroxy phenyl azo-4'-isoamyloxy benzene 

Relevant articles and documents

Chromatography-Free Multicomponent Synthesis of Thioureas Enabled by Aqueous Solution of Elemental Sulfur

The development of a new three-component chromatography-free reaction of isocyanides, amines and elemental sulfur allowed us the straightforward synthesis of thioureas in water. Considering a large pool of organic and inorganic bases, we first optimized the preparation of aqueous polysulfide solution from elemental sulfur. Using polysulfide solution, we were able to omit the otherwise mandatory chromatography, and to isolate the crystalline products directly from the reaction mixture by a simple filtration, retaining the sulfur in the solution phase. A wide range of thioureas synthesized in this way confirmed the reasonable substrate and functional group tolerance of our protocol.

Synthesis and antimicrobial studies of new antibacterial azo-compounds active against staphylococcus aureus and listeria monocytogenes

Some novel (phenyl-diazenyl)phenols (4a–m) were designed and synthesized to be evaluated for their antibacterial activity. Starting from an active previously-synthesized azobenzene chosen as lead compound, we introduced some modifications and optimization of the structure, in order to improve solubility and drug conveyance. Structures of all newly-synthesized compounds were confirmed by 1H nuclear magnetic resonance (NMR), mass spectrometry, and UV-Vis spectroscopy. Antibacterial activity of the new compounds was tested with the dilution method against the bacteria strains Listeria monocytogenes, Staphylococcus aureus, Escherichia coli, and Pseudomonas aeruginosa PAO1. All the compounds were selectively active against Gram-positive bacteria. In particular, compounds 4d, 4h, and 4i showed the highest activity against S. aureus and Listeria monocytogenes, reaching remarkable MIC100 values of 4 μg/mL and 8 μg/mL. The relationship between antimicrobial activity and compound structure has suggested that the presence of hydroxyl groups seems to be essential for antimicrobial activity of phenolic compounds.

Quadruply hydrogen-bonded heteroduplexes based on imide and urea units arrayed with ADDA/DAAD sequences

A new class of imide- and urea-based hetero-strands with a quadruple ADDA/DAAD hydrogen-bond array was designed and synthesized from easily accessible starting materials. The molecular recognition between the two different strands depends highly on the su