4-Pentylbromobenzene

Base Information

• Chemical Name: 4-Pentylbromobenzene
• CAS No.: 51554-95-1
• Molecular Formula: C11H15Br
• Molecular Weight: 227.144
• Hs Code.: 29039990
• European Community (EC) Number: 472-220-9,610-687-4
• DSSTox Substance ID: DTXSID70370823
• Nikkaji Number: J534.026H
• Wikidata: Q72500144
• Mol file: 51554-95-1.mol

Synonyms:1-Bromo-4-pentylbenzene;4-n-Pentylbromobenzene;p-Pentylbromobenzene;p-Pentylphenyl bromide;

Chemical Property of 4-Pentylbromobenzene

Chemical Property:

• Appearance/Colour: Clear pale yellow liquid
• Vapor Pressure: 0.0184mmHg at 25°C
• Refractive Index: n20/D 1.5260(lit.)
• Boiling Point: 261.8 °C at 760 mmHg
• Flash Point: 127.7 °C
• PSA: 0.00000
• Density: 1.208 g/cm³
• LogP: 4.18180
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 226.03571
• Heavy Atom Count: 12
• Complexity: 104

Purity/Quality:

99% ^*data from raw suppliers

4-Pentylbromobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 24/25-36-26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1=CC=C(C=C1)Br
• Uses: 4-Pentylbromobenzene is a derivative of Valerophenone (V091450), which is an aromatic ketone that is often used as a tool in the study of various photochemical processes. Valerophenone is also an inhibitor of the enzyme carbonyl reductase. Intermediates of Liquid Crystals

Technology Process of 4-Pentylbromobenzene

There total 32 articles about 4-Pentylbromobenzene 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: 96.0%

4-(1-trans-pentenyl)-bromobenzene (76287-57-5) → 4-pentylbromobenzene (51554-95-1)

Guidance literature:

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

Reference yield: 95.0%

1-bromo-4-(pent-4-en-1-yl)benzene (134336-90-6) → 4-pentylbromobenzene (51554-95-1)

Guidance literature:

With (η⁵-C₅Me₅)Rh(ppy)H; hydrogen; In methanol; at 20 ℃; for 24h; under 4137.29 Torr;

DOI:10.1021/jacs.1c04683

Reference yield: 94.0%

tributyl borane (122-56-5) + (E)-N'-(4-bromobenzylidene)-4-methylbenzenesulfonohydrazide → 4-pentylbromobenzene (51554-95-1)

Guidance literature:

With tetra(n-butyl)ammonium hydroxide; In tetrahydrofuran; methanol; for 1h; Heating;

DOI:10.1021/jo00098a008

upstream raw materials:

1-bromomethyl-4-bromobenzene

4'-bromovalerophenone

4-(1-trans-pentenyl)-bromobenzene

n-butyllithium

Downstream raw materials:

4-n-pentyl-4'-benzyloxybiphenyl

2,2,4,4-tetramethyl-1-(4-pentyl-phenyl)-3-(4-phenyl-piperazin-1-yl)-cyclobutanol

2,2,4,4-tetramethyl-1-(4-pentyl-phenyl)-3-(4-pyridin-2-yl-piperazin-1-yl)-cyclobutanol

1-(4-penthyphenyl)-2-(4-ethoxy-3-fluorophenyl)ethanol

Refernces

• 1、 -. "Synthesis method of p-bromo-linear alkylbenzene". Paragraph 0035; 0051. . Retrieved 2017/08/25.
• 2、 Horie,Takagi,Hasebe,Ozawa,Ohta. "Discotic liquid crystals of transition metal complexes, 31: Establishment of mesomorphism and thermochromism of bis[1,2-bis(4-n-alkoxyphenyl)ethane-1,2-dithiolene]nickel complexes". . p. 1063 - 1071. Retrieved 2007/10/03.