1-Chloro-4-(octyloxy)benzene

Base Information

• Chemical Name: 1-Chloro-4-(octyloxy)benzene
• CAS No.: 836-60-2
• Molecular Formula: C14H21ClO
• Molecular Weight: 240.773
• NSC Number: 190785
• DSSTox Substance ID: DTXSID70307351
• Nikkaji Number: J156.518D
• Wikidata: Q82054730
• Mol file: 836-60-2.mol

Synonyms:1-chloro-4-(octyloxy)benzene;836-60-2;NSC190785;SCHEMBL11662072;DTXSID70307351;AKOS014091666;NSC-190785

Chemical Property of 1-Chloro-4-(octyloxy)benzene

Chemical Property:

• Vapor Pressure: 0.00089mmHg at 25°C
• Boiling Point: 313.9°Cat760mmHg
• Flash Point: 145°C
• Density: 0.999g/cm³
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 240.1280930
• Heavy Atom Count: 16
• Complexity: 153

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCOC1=CC=C(C=C1)Cl

Technology Process of 1-Chloro-4-(octyloxy)benzene

There total 3 articles about 1-Chloro-4-(octyloxy)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: 100.0%

octyloxybenzene (1818-07-1) → 1-chloro-4-(octyloxy)benzene (836-60-2)

Guidance literature:

With aluminum oxide; sodium chlorite; (salen)Mn(III); In dichloromethane; at 25 ℃; for 0.5h;

DOI:10.1139/v97-625

Reference yield: 75.0%

bromochlorobenzene (106-39-8) + 1-bromo-octane (111-83-1) → 1-chloro-4-(octyloxy)benzene (836-60-2)

Guidance literature:

bromochlorobenzene; With copper(l) iodide; 2-methyl-8-quinolinol; tetra(n-butyl)ammonium hydroxide; In water; dimethyl sulfoxide; at 130 ℃;

1-bromo-octane; With tetra(n-butyl)ammonium hydroxide; In water; dimethyl sulfoxide; at 100 ℃;

DOI:10.1055/s-0030-1258965

Reference yield:

n-chlorooctane (111-85-3) + sodium 4-chlorophenolate (1193-00-6) → 1-chloro-4-(octyloxy)benzene (836-60-2)

Guidance literature:

In N,N-dimethyl-formamide;

upstream raw materials:

n-chlorooctane

sodium 4-chlorophenolate

octyloxybenzene

bromochlorobenzene

Downstream raw materials:

1-Octyloxy-4-trimethylsilyl-benzol

octyloxybenzene