1-Butoxy-4-chlorobenzene

Base Information

• Chemical Name: 1-Butoxy-4-chlorobenzene
• CAS No.: 51241-35-1
• Molecular Formula: C10H13ClO
• Molecular Weight: 184.666
• European Community (EC) Number: 684-559-1
• NSC Number: 190783
• DSSTox Substance ID: DTXSID10307350
• Nikkaji Number: J156.446C
• Wikidata: Q82054728
• Mol file: 51241-35-1.mol

Synonyms:1-butoxy-4-chloro-benzene;1-butoxy-4-chlorobenzene;51241-35-1;NSC 190783;NSC190783;SBB061312;4-Chlorophenylbutyl ether;O(CCCC)c1ccc(Cl)cc1;4-Chlorophenol, n-butyl ether;SCHEMBL3790721;DTXSID10307350;AKOS006242599;NSC-190783

Chemical Property of 1-Butoxy-4-chlorobenzene

Chemical Property:

• Vapor Pressure: 0.05mmHg at 25°C
• Boiling Point: 243.4°Cat760mmHg
• Flash Point: 105.5°C
• Density: 1.055g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 184.0654927
• Heavy Atom Count: 12
• Complexity: 108

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=CC=C(C=C1)Cl

Technology Process of 1-Butoxy-4-chlorobenzene

There total 11 articles about 1-Butoxy-4-chlorobenzene 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%

n-butyl phenyl ether (1126-79-0) → n-butyl 4-chlorophenyl ether (51241-35-1)

Guidance literature:

With kaolin; sodium chlorite; manganese(III) acetylacetonate; In dichloromethane; at 25 ℃; for 1.66667h;

DOI:10.1039/a804043e

Reference yield: 92.0%

1-bromo-butane (109-65-9) + 4-chloro-phenol (106-48-9,82344-39-6) → n-butyl 4-chlorophenyl ether (51241-35-1)

Guidance literature:

With zinc; In N,N-dimethyl-formamide; for 0.0416667h; microwave irradiation;

DOI:10.1016/j.tetlet.2004.10.009

Reference yield: 81.0%

bromochlorobenzene (106-39-8) + butan-1-ol (71-36-3) → n-butyl 4-chlorophenyl ether (51241-35-1)

Guidance literature:

With potassium phosphate; copper(l) iodide; 8-quinolinol; at 20 - 110 ℃; Inert atmosphere;

DOI:10.1021/jo900600m

upstream raw materials:

1-bromo-butane

sodium 4-chlorophenolate

1-iodo-butane

4-chloro-phenol

Downstream raw materials:

4-n-butyloxyphenyl 4'-hydroxybenzoate