1-Butoxy-4-methoxybenzene

Base Information

• Chemical Name: 1-Butoxy-4-methoxybenzene
• CAS No.: 20743-95-7
• Molecular Formula: C11H16O2
• Molecular Weight: 180.247
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID80174819
• Nikkaji Number: J124.894D
• Wikidata: Q83044975
• ChEMBL ID: CHEMBL2252616
• Mol file: 20743-95-7.mol

Synonyms:1-Butoxy-4-methoxybenzene;20743-95-7;Benzene, 1-butoxy-4-methoxy-;1-butyloxy-4-methoxybenzene;1-Butoxy-4-methoxybenzene #;SCHEMBL1047291;CHEMBL2252616;DTXSID80174819;LBDWIFOIHJVJBH-UHFFFAOYSA-N

Chemical Property of 1-Butoxy-4-methoxybenzene

Chemical Property:

• Vapor Pressure: 0.022mmHg at 25°C
• Boiling Point: 258.6°Cat760mmHg
• Flash Point: 94.7°C
• PSA: 18.46000
• Density: 0.964g/cm³
• LogP: 2.87410
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 180.115029749
• Heavy Atom Count: 13
• Complexity: 117

Purity/Quality:

99% ^*data from raw suppliers

1-Butoxy-4-methoxybenzene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Ethers, Other
• Canonical SMILES: CCCCOC1=CC=C(C=C1)OC

Technology Process of 1-Butoxy-4-methoxybenzene

There total 11 articles about 1-Butoxy-4-methoxybenzene 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: 97.0%

1-bromo-4-methoxy-benzene (104-92-7) + butan-1-ol (71-36-3) → 1-butoxy-4-methoxybenzene (20743-95-7)

Guidance literature:

With copper(l) iodide; N¹, N²-diphenethyloxalamide; sodium t-butanolate; In 1,4-dioxane; for 24h; Reagent/catalyst; Schlenk technique; Inert atmosphere; Molecular sieve; Heating;

DOI:10.1021/jacs.8b12142

Reference yield: 96.0%

para-iodoanisole (696-62-8) + butan-1-ol (71-36-3) → 1-butoxy-4-methoxybenzene (20743-95-7)

Guidance literature:

With copper(l) iodide; sodium t-butanolate; In N,N-dimethyl-formamide; for 24h; Schlenk technique; Inert atmosphere; Molecular sieve; Heating;

DOI:10.1021/jacs.8b12142

Reference yield: 94.0%

n-Butyl chloride (109-69-3) + 4-methoxy-phenol (150-76-5) → 1-butoxy-4-methoxybenzene (20743-95-7)

Guidance literature:

With 2,6-dimethylpyridine; tetrabutyl-ammonium chloride; potassium carbonate; In water; for 8h; Heating;

DOI:10.1246/cl.2004.940

upstream raw materials:

1-bromo-butane

4-methoxy-phenol

1-(buta-2,3-dien-1-yloxy)-4-methoxybenzene

1-bromo-4-methoxy-benzene

Downstream raw materials:

1-butoxy-4-methoxy-2-nitro-benzene

4-butoxy-1-methoxy-2-nitro-benzene

4-n-butoxyphenol