1-Methoxy-3-propylbenzene

Base Information

• Chemical Name: 1-Methoxy-3-propylbenzene
• CAS No.: 62103-69-9
• Molecular Formula: C10H14O
• Molecular Weight: 150.221
• DSSTox Substance ID: DTXSID90558247
• Nikkaji Number: J155.030F
• Wikidata: Q82440472
• Mol file: 62103-69-9.mol

Synonyms:1-methoxy-3-propylbenzene;62103-69-9;Benzene, 1-methoxy-3-propyl-;3-(3-Methoxyphenyl)-propan;SCHEMBL156300;DTXSID90558247;NZSPOOBIPDPNNX-UHFFFAOYSA-N;AC9509;MFCD02259762;SY251462

Chemical Property of 1-Methoxy-3-propylbenzene

Chemical Property:

• Boiling Point: 92 °C(Press: 11 Torr)
• PSA: 9.23000
• Density: 0.922±0.06 g/cm3(Predicted)
• LogP: 2.64770
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 150.104465066
• Heavy Atom Count: 11
• Complexity: 101

Purity/Quality:

1-Methoxy-3-propylbenzene ≥95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC(=CC=C1)OC

Technology Process of 1-Methoxy-3-propylbenzene

There total 31 articles about 1-Methoxy-3-propylbenzene 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: 95.0%

2-methoxy-4-propylphenyl trifluoromethanesulfonate (280570-08-3) → 3-propylanisole (62103-69-9)

Guidance literature:

With ammonium acetate; magnesium; palladium on activated charcoal; In methanol; at 20 ℃; for 0.5h;

DOI:10.1021/ol060045q

Reference yield: 95.0%

2-methoxy-4-(prop-2-en-1-yl)phenyl 4-methylbenzenesulfonate (144150-79-8) → 3-propylanisole (62103-69-9)

Guidance literature:

With sodium tetrahydroborate; nickel dichloride; In methanol; chloroform; ice-cooling;

Reference yield: 92.0%

1-chloro-3-methoxy-benzene (2845-89-8) + n-propylmagnesium bromide (927-77-5) → 3-propylanisole (62103-69-9)

Guidance literature:

n-propylmagnesium bromide; With iron(III) fluoride trihydrate; 1,3-bis[(2,6-diisopropyl)phenyl]imidazolinium chloride; In tetrahydrofuran; at 0 ℃; Inert atmosphere;

1-chloro-3-methoxy-benzene; In tetrahydrofuran; at 20 ℃; for 19h; chemoselective reaction; Inert atmosphere;

DOI:10.1246/bcsj.20180333

upstream raw materials:

1-(3-methoxyphenyl)propanol

1,2-bis-(4-allyl-2-methoxy-phenoxy)-ethane

3-n-propylphenol

dimethyl sulfate

Downstream raw materials:

4-iodo-3-propyl-anisole

2-methoxy-4-propylbenzaldehyde

2-n-propyl-4-methoxybenzaldehyde

3-n-propylphenol