2049-94-7

Basic information

• Product Name: ISOAMYLBENZENE
• Synonyms: 1-ISOPENTYLBENZENE;(3-METHYL-1-BUTYL)BENZENE;3-METHYL-1-PHENYLBUTANE;(3-METHYLBUTYL)BENZENE;ISOAMYLBENZENE;ISOPENTYLBENZENE;1-Phenyl-3-methylbutane;2-Methyl-4-phenylbutane
• CAS NO: 2049-94-7
• Molecular Formula: C₁₁H₁₆
• Molecular Weight: 148.24
• EINECS: 218-075-5
• Mol File: 2049-94-7.mol
• Article Data: 25

Chemical Properties

• Melting Point: -44.72°C (estimate)
• Boiling Point: 197 °C(lit.)
• Flash Point: 65 °C
• Appearance: /
• Density: 0.854 g/mL at 20 °C(lit.)
• Vapor Pressure: 0.662mmHg at 25°C
• Refractive Index: n20/D 1.486
• Storage Temp.: Store below +30°C.
• BRN: 1855612
• CAS DataBase Reference: ISOAMYLBENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: ISOAMYLBENZENE(2049-94-7)
• EPA Substance Registry System: ISOAMYLBENZENE(2049-94-7)

Safety Data

• Safety Statements: 23-24/25
• WGK Germany: 3
• Hazardous Substances Data: 2049-94-7(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Tetrahedron, 50, p. 13231, 1994 DOI: 10.1016/S0040-4020(01)89331-5

InChI:InChI=1/C11H16/c1-10(2)8-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

Upstream product

• 541-28-6 isopentyl iodide 
• 1623-99-0 phenyl sodium 
• 2893-05-2 3-methyl-1-phenylbutan-2-one 
• 108-86-1 bromobenzene 
• 107-82-4 i-pentyl bromide 
• 123-51-3 i-Amyl alcohol 
• 71-43-2 benzene 
• 107-84-6 1-chloro-3-methylbutane 
• 598-61-8 methyl-cyclobutane 
• 6683-51-8 2-methyl-4-phenyl-1-butene 
• 110-89-4 piperidine 
• 503-74-2 3-methylbutyric acid 
• 1565-86-2 3-Methyl-1-phenyl-1-butanol 
• 103-64-0 bromostyrene 

Downstream Products

• 14300-29-9 3-Methyl-2-phenylthiophene 
• 54105-76-9 4-cyclohexyl-2-methylbutane 
• 15325-61-8 3-methyl-1-phenyl-1-butene 
• 1805-61-4 p-isoamylphenol 
• 40022-71-7 (1,2-dibromo-3-methyl-butyl)-benzene 
• 92195-64-7 acetic acid-(4-isopentyl-anilide) 
• 103857-71-2 1-bromo-4-isopentylbenzene 
• 3355-19-9 1-isopentyl-4-nitro-benzene 
• 3443-71-8 1-isopentyl-2-nitro-benzene 
• 132700-32-4 N,N'-(4-isopentyl-m-phenylene)-bis-acetamide 
• 103-65-1 phenylpropane 
• 104-51-8 1-butylbenzene 
• 108-88-3 toluene 
• 91-57-6 2-Methylnaphthalene 

Relevant articles and documents

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Zn-Mediated Hydrodeoxygenation of Tertiary Alkyl Oxalates

Herein we describe a general, mild, and scalable method for hydrodeoxygenation of readily accessible tertiary alkyl oxalates by Zn/silane under Ni-catalyzed conditions. The reduction method is suitable for an array of structural motifs derived from tertiary alcohols that bear diverse functional groups, including the synthesis of a key intermediate en route to estrone.

Use of the 2-Pyridinesulfonyloxy Leaving Group for the Fast Copper-Catalyzed Coupling Reaction at Secondary Alkyl Carbons with Grignard Reagents

Investigation of the copper-catalyzed coupling reaction of 2-pyridinesulfonates with Grignard reagents revealed that reactions with catalytic Cu(OTf)2 were completed in 40 min. The results differed from those of the previous CuI-catalyzed reactions of tosylates in the presence of additives (LiOMe and TMEDA) for 12-24 h. It was shown that the preferred coordination of the leaving group to the reagents accelerated the reaction. Successful reagents were MeMgCl and other RMgX. Complete inversion was established.