1,4-Dibutylbenzene

Base Information

• Chemical Name: 1,4-Dibutylbenzene
• CAS No.: 1571-86-4
• Molecular Formula: C14H22
• Molecular Weight: 190.329
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID20166213
• Nikkaji Number: J151.559D
• Wikidata: Q83035440
• Mol file: 1571-86-4.mol

Synonyms:1,4-Dibutylbenzene;1,4-Di-n-butylbenzene;1571-86-4;Benzene, 1,4-dibutyl-;Benzene, 1,4-dibutyl;p-Dibutylbenzene;p-Dibutylbenzol;DTXSID20166213;BAA57186;MFCD01076591;BS-21565;CS-0207327;D2781;FT-0606894;D90114;A809819;5-ALPHA-ANDROSTAN-17-BETA-OL-3-ONEGLUCOSIDURONATE

Chemical Property of 1,4-Dibutylbenzene

Chemical Property:

• Vapor Pressure: 0.0167mmHg at 25°C
• Melting Point: -31 - -30°C
• Refractive Index: 1.489
• Boiling Point: 263.5 °C at 760 mmHg
• Flash Point: 113 °C
• PSA: 0.00000
• Density: 0.856 g/cm³
• LogP: 4.37180
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 190.172150702
• Heavy Atom Count: 14
• Complexity: 104

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,4-Di-N-butylbenzene ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC=C(C=C1)CCCC

Technology Process of 1,4-Dibutylbenzene

There total 30 articles about 1,4-Dibutylbenzene 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: 83.0%

1.4-dibromobenzene (106-37-6) + tri-n-butylindium (15676-66-1) → 1,4-dibutyl-benzene (1571-86-4)

Guidance literature:

(1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In tetrahydrofuran; for 2h; Heating;

DOI:10.1055/s-2004-834945

Reference yield: 81.0%

1-bromo-butane (109-65-9) + para-dichlorobenzene (106-46-7,84348-21-0) → 1,4-dibutyl-benzene (1571-86-4)

Guidance literature:

1-bromo-butane; With iodine; magnesium; In diethyl ether; for 1h; Inert atmosphere; Reflux;

para-dichlorobenzene; With 1,3-bis[(diphenylphosphino)propane]dichloronickel(II); In diethyl ether; at 0 ℃; for 48h; Inert atmosphere; Reflux;

DOI:10.1021/acs.joc.5b02670

Reference yield: 76.0%

1,4-bis(butyro)phenone (100971-82-2) → 1,4-dibutyl-benzene (1571-86-4)

Guidance literature:

With perchloric acid; hydrogen; palladium on activated charcoal; In acetic acid; at 80 ℃; for 6h; under 2550.2 Torr;

upstream raw materials:

para-dichlorobenzene

n-Butyl chloride

4-(n-Butyl)-butyrophenon

1-bromo-butane

Downstream raw materials:

phenanthrene

1-(4-butylphenyl)ethanone

1,4-dibutyl-2-nitro-benzene

1,4-dibutyl-2,3,5,6-tetrabromobenzene

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、 Pena, Miguel A.,Perez Sestelo, Jose,Sarandeses, Luis A.. "New synthetic applications of indium organometallics in cross-coupling reactions". . p. 485 - 492. Retrieved 2007/10/03.