1-Butoxy-3-methylbenzene

Base Information

• Chemical Name: 1-Butoxy-3-methylbenzene
• CAS No.: 23079-65-4
• Molecular Formula: C11H16O
• Molecular Weight: 164.247
• DSSTox Substance ID: DTXSID40432503
• Nikkaji Number: J155.045D
• Wikidata: Q82246567
• Mol file: 23079-65-4.mol

Synonyms:1-BUTOXY-3-METHYLBENZENE;23079-65-4;1-butoxy-3-methyl-benzene;Benzene, 1-butoxy-3-methyl-;SCHEMBL3894255;DTXSID40432503;AKOS009165747

Chemical Property of 1-Butoxy-3-methylbenzene

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 164.120115130
• Heavy Atom Count: 12
• Complexity: 112

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Butoxy-3-methylbenzene

There total 12 articles about 1-Butoxy-3-methylbenzene 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: 83.0%

1-bromo-butane (109-65-9) + 3-methyl-phenol (108-39-4) → 1-butoxy-3-methylbenzene (23079-65-4)

Guidance literature:

With zinc; In N,N-dimethyl-formamide; for 0.0583333h; microwave irradiation;

DOI:10.1016/j.tetlet.2004.10.009

Reference yield: 75.0%

meta-bromotoluene (591-17-3) + butan-1-ol (71-36-3) → 1-butoxy-3-methylbenzene (23079-65-4)

Guidance literature:

With 5-(di(adamantan-1-yl)phosphino)-1′,3′,5′-triphenyl-1′H-1,4′-bipyrazole; palladium diacetate; caesium carbonate; In toluene; at 80 ℃; for 5h; Inert atmosphere;

DOI:10.1021/ja103248d

Reference yield: 74.0%

3-methylcyclohexen-2-one (1193-18-6) + butan-1-ol (71-36-3) → 1-butoxy-3-methylbenzene (23079-65-4)

Guidance literature:

With ammonium cerium(IV) nitrate; iodine; for 10h; Heating;

DOI:10.1246/cl.1991.1921

upstream raw materials:

n-Butyl chloride

sodium 3-methylphenoxide

1-bromo-butane

sodium ethanolate

Downstream raw materials:

4-(4-butoxy-2-methyl-phenyl)-4-oxo-butyric acid

4-butoxy-2-methylbenzonitrile