1-Bromo-4-heptylbenzene

Base Information

• Chemical Name: 1-Bromo-4-heptylbenzene
• CAS No.: 76287-49-5
• Molecular Formula: C13H19Br
• Molecular Weight: 255.198
• Hs Code.: 29039990
• European Community (EC) Number: 672-567-8
• DSSTox Substance ID: DTXSID90379378
• Nikkaji Number: J534.028D
• Wikidata: Q72449493
• Mol file: 76287-49-5.mol

Synonyms:1-Bromo-4-heptylbenzene;76287-49-5;1-Bromo-4-n-heptylbenzene;Benzene, 1-bromo-4-heptyl-;4-Heptylbromobenzene;1-(4-bromophenyl)heptane;1-Bromo-4-heptylbenzene (stabilized with Copper chip);SCHEMBL4191545;DTXSID90379378;YHKMTIJHJWYYAG-UHFFFAOYSA-N;MFCD00061115;AKOS015835694;AS-9558;B1608;CS-0128870;FT-0605666;F17122;A838665;J-504451;1-Bromo-4-heptylbenzene, (stabilized with Copper chip)

Chemical Property of 1-Bromo-4-heptylbenzene

Chemical Property:

• Appearance/Colour: liquid
• Vapor Pressure: 0.00246mmHg at 25°C
• Refractive Index: 1.515
• Boiling Point: 296.9 °C at 760 mmHg
• Flash Point: 161 °C
• PSA: 0.00000
• Density: 1.154 g/cm³
• LogP: 4.96200
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 254.06701
• Heavy Atom Count: 14
• Complexity: 125

Purity/Quality:

99% ^*data from raw suppliers

1-Bromo-4-heptylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC1=CC=C(C=C1)Br

Technology Process of 1-Bromo-4-heptylbenzene

There total 12 articles about 1-Bromo-4-heptylbenzene 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: 98.0%

1-bromo-4-(hept-1-en-1-yl)benzene (76287-59-7) → 1-bromo-4-heptylbenzene (76287-49-5)

Guidance literature:

With hydrogen; platinum(IV) oxide; In ethanol;

Reference yield: 81.0%

4-(1-hydroxyheptyl)-1-bromobenzene (71434-33-8) → 1-bromo-4-heptylbenzene (76287-49-5)

Guidance literature:

With iron(III) chloride; In 1,2-dichloro-ethane; at 60 ℃; for 2h; chemoselective reaction;

DOI:10.1055/s-0031-1289857

Reference yield: 58.0%

1-(4-bromophenyl)heptan-1-one (99474-02-9) → 1-bromo-4-heptylbenzene (76287-49-5)

Guidance literature:

With potassium hydroxide; hydrazine hydrate; In diethylene glycol; 130 deg C, 2 h then 200 deg C, 2 h;

upstream raw materials:

1-(4-bromophenyl)heptan-1-one

1-bromo-4-(hept-1-en-1-yl)benzene

heptylbenzene

1-Bromoheptane

Downstream raw materials:

C₃₉H₅₇OP

4-heptylphenylboronic acid pinacol ester

C₃₀H₃₃NO₃

2,3,4,5-tetrakis(4-n-heptylphenylseleno)thiophene

Refernces

• 1、 Larrosa, Igor,Somoza, Clara,Banquy, Alexandre,Goldup, Stephen M.. "Two flavors of PEPPSI-IPr: Activation and diffusion control in a single NHC-ligated Pd catalyst?". supporting information; experimental part. p. 146 - 149. Retrieved 2011/03/20.
• 2、 Gray, George W.,Hird, Michael,Lacey, David,Toyne, Kenneth J.. "The Synthesis and Transition Temperatures of Some 4,4"-dialkyl- and 4,4"-Alkoxyalkyl-1,1':4',1"-terphenyls with 2,3- or 2',3'-difluoro Substituents and of their Biphenyl Analogues". . p. 2041 - 2054. Retrieved 2007/10/02.