Benzene, 1-bromo-4-(hexyloxy)-

Base Information

• Chemical Name: Benzene, 1-bromo-4-(hexyloxy)-
• CAS No.: 30752-19-3
• Molecular Formula: C12H17BrO
• Molecular Weight: 257.17
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID70885487
• Nikkaji Number: J156.362I
• Wikidata: Q82864114
• Mol file: 30752-19-3.mol

Synonyms:30752-19-3;1-Bromo-4-(hexyloxy)benzene;1-Bromo-4-hexyloxybenzene;Benzene, 1-bromo-4-(hexyloxy)-;4-N-HEXYLOXYBROMOBENZENE;1-(4-bromophenoxy)hexane;1-bromo-4-hexoxybenzene;p-Hexyloxybromobenzene;p-Bromophenylhexyl ether;4-Bromophenyl Hexyl Ether;4-Hexyloxybromobenzene;4-Bromophenylhexyl ether;4-n-hexyloxyphenyl bromide;1-bromanyl-4-hexoxy-benzene;SCHEMBL917535;DTXSID70885487;1-(4-Bromophenoxy)hexane, 97%;MFCD00173753;AKOS009157527;AS-19798;B3876;CS-0152138;FT-0605656;D70349;A820608;J-503244

Chemical Property of Benzene, 1-bromo-4-(hexyloxy)-

Chemical Property:

• Vapor Pressure: 0.00226mmHg at 25°C
• Refractive Index: 1.5240
• Boiling Point: 298.4 °C at 760 mmHg
• Flash Point: 126.1 °C
• PSA: 9.23000
• Density: 1.212 g/cm³
• LogP: 4.40820
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 256.04628
• Heavy Atom Count: 14
• Complexity: 130

Purity/Quality:

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

4-N-Hexyloxybromobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC1=CC=C(C=C1)Br

Technology Process of Benzene, 1-bromo-4-(hexyloxy)-

There total 13 articles about Benzene, 1-bromo-4-(hexyloxy)- 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: 99.0%

4-bromo-phenol (106-41-2) + 1-bromo-hexane (111-25-1) → 1-bromo-4-hexyloxylbenzene (30752-19-3)

Guidance literature:

With potassium carbonate; In acetone; for 8h; Inert atmosphere; Reflux;

DOI:10.1002/anie.201310293

Reference yield: 98.0%

1-phenoxyhexane (1132-66-7) → 1-bromo-4-hexyloxylbenzene (30752-19-3)

Guidance literature:

With sodium chlorite; Montmorillonite K₁₀; manganese(III) acetylacetonate; sodium bromide; In dichloromethane; at 25 ℃; for 1h;

DOI:10.1080/00397919808005939

Reference yield: 93.0%

1-bromo-4-((6-iodohexyl)oxy)benzene (1403266-85-2) → 1-bromo-4-hexyloxylbenzene (30752-19-3)

Guidance literature:

With 1,1,3,3-Tetramethyldisiloxane; [1,3-bis(2,6-di-iso-propylphenyl)imidazol-2-ylidene]copper(I) tert-butoxide; cesium fluoride; In 1,4-dioxane; at 0 - 25 ℃; for 24h; Inert atmosphere;

DOI:10.1002/anie.201307697

upstream raw materials:

4-bromo-phenol

1-bromo-hexane

1-phenoxyhexane

1-Iodohexane

Downstream raw materials:

p-n-hexyloxyphenylacetylene

(4-(hexyloxy)phenyl)magnesium bromide

4-hexyloxyphenylboronic acid

4-(hexyloxy)-N-(4-(hexyloxy)phenyl)-N-phenylaniline

Refernces

• 1、 Cavedon, Cristian,Madani, Amiera,Seeberger, Peter H.,Pieber, Bartholom?us. "Semiheterogeneous Dual Nickel/Photocatalytic (Thio)etherification Using Carbon Nitrides". supporting information. p. 5331 - 5334. Retrieved 2019/07/08.
• 2、 W?hrle, Tobias,Gündemir, Rafet,Frey, Wolfgang,Knecht, Friederike,K?hn, Andreas,Laschat, Sabine. "Thermotropic MIDA Boronates as a Case Study for the Role of Dipolar Interactions in Liquid Crystalline Self-Assembly". supporting information. p. 4149 - 4159. Retrieved 2017/03/31.