(2-heptyl)benzene

Base Information

• Chemical Name: (2-heptyl)benzene
• CAS No.: 2132-84-5
• Molecular Formula: C13H20
• Molecular Weight: 176.302
• Hs Code.: 2902909090
• Mol file: 2132-84-5.mol

Synonyms:Heptane,2-phenyl- (6CI,7CI,8CI); (1-Methylhexyl)benzene; (2-Heptyl)benzene;2-Phenylheptane

Chemical Property of (2-heptyl)benzene

Chemical Property:

• Vapor Pressure: 0.0858mmHg at 25°C
• Boiling Point: 233.3°Cat760mmHg
• Flash Point: 87.2°C
• PSA: 0.00000
• Density: 0.857g/cm³
• LogP: 4.37040

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (2-heptyl)benzene

There total 24 articles about (2-heptyl)benzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

(1-methylenehexyl)benzene (24066-86-2) → 1-(heptan-2-yl)-benzene (2132-84-5)

Guidance literature:

With formic acid; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In methanol; water; at 20 ℃; for 24h; Irradiation;

DOI:10.1021/acscatal.1c01000

Reference yield: 56.0%

1-bromo-2-phenylpropane (1459-00-3) + butyl magnesium bromide (693-04-9) → Isopropylbenzene (98-82-8) + 1-(heptan-2-yl)-benzene (2132-84-5)

Guidance literature:

With 1-Phenylprop-1-yne; copper dichloride; In tetrahydrofuran; at 25 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1021/jo501006u

Reference yield:

benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 1-(heptan-2-yl)-benzene (2132-84-5) + heptylbenzene (1078-71-3)

Guidance literature:

With hydrogenchloride; aluminium trichloride;

DOI:10.4039/Ent134157-2

upstream raw materials:

n-pentyl methyl ketone

1-Heptene

benzene

n-heptan1ol

Downstream raw materials:

heptan-3-ylbenzene

Refernces

• 1、 Barker, Timothy J.,Russell, Richard W.. "Transition Metal-Free sp3?sp3 Carbon-Carbon Coupling between Benzylboronic Esters and Alkyl Bromides". supporting information. p. 2782 - 2784. Retrieved 2021/06/25.
• 2、 Everson, Daniel A.,Jones, Brittany A.,Weix, Daniel J.. "Replacing conventional carbon nucleophiles with electrophiles: Nickel-catalyzed reductive alkylation of aryl bromides and chlorides". supporting information; experimental part. p. 6146 - 6159. Retrieved 2012/05/07.