2-(3-Bromopropoxy)-1,4-dimethylbenzene

Base Information

• Chemical Name: 2-(3-Bromopropoxy)-1,4-dimethylbenzene
• CAS No.: 3245-55-4
• Molecular Formula: C11H15BrO
• Molecular Weight: 243.143
• DSSTox Substance ID: DTXSID50407146
• Nikkaji Number: J346.346J
• Wikidata: Q82212385
• Mol file: 3245-55-4.mol

Synonyms:2-(3-bromopropoxy)-1,4-dimethylbenzene;3245-55-4;3-Bromopropyl-2,5-xylyl Ether;SCHEMBL5223212;DTXSID50407146;CS-D0324;MFCD00078661;AKOS002535191;FT-0663862;EN300-13867;1-BROMO-3-(25-DIMETHYLPHENOXY)-PROPANE&;A875618;Z94602041

Chemical Property of 2-(3-Bromopropoxy)-1,4-dimethylbenzene

Chemical Property:

• Vapor Pressure: 0.00159mmHg at 25°C
• Refractive Index: 1.532
• Boiling Point: 304.3 °C at 760mmHg
• Flash Point: 120.1 °C
• Density: 1.27 g/cm³
• Storage Temp.: 2-8°C
• Solubility.: Chloroform, DMSO
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 242.03063
• Heavy Atom Count: 13
• Complexity: 138

Purity/Quality:

98.5% ^*data from raw suppliers

3-Bromopropyl-2,5-xylylEther ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C)OCCCBr

Technology Process of 2-(3-Bromopropoxy)-1,4-dimethylbenzene

There total 4 articles about 2-(3-Bromopropoxy)-1,4-dimethylbenzene 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:

<2.5-Dimethyl-phenyl>-<3-hydroxy-propyl>-aether (13030-22-3) → 3-(2,5-dimethylphenoxy)propyl bromide (3245-55-4)

Guidance literature:

With phosphorus tribromide; for 2h; Reflux;

Reference yield:

2,5-Dimethylphenol (95-87-4) + 1.3-chlorobromopropane (109-70-6) → 1-Chlor-3(2.5-dimethylphenoxy)-propan (31264-51-4) + 3-(2,5-dimethylphenoxy)propyl bromide (3245-55-4)

Guidance literature:

With sodium hydroxide; benzyltriethylammonium bromide; In toluene; for 24h; Yield given. Yields of byproduct given; Heating;

DOI:10.1055/s-1990-27096

Reference yield:

2,5-Dimethylphenol (95-87-4) → 3-(2,5-dimethylphenoxy)propyl bromide (3245-55-4)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate; sodium n-propoxide / acetone / 48 h / Reflux

2: phosphorus tribromide / 2 h / Reflux

With sodium n-propoxide; phosphorus tribromide; potassium carbonate; In acetone;

upstream raw materials:

2,5-Dimethylphenol

1.3-chlorobromopropane

<2.5-Dimethyl-phenyl>-<3-hydroxy-propyl>-aether

1-chloro-3-hydroxypropane

Downstream raw materials:

N-<2-(2-Methoxy-phenoxy)-aethyl>-3-(2,5-dimethyl-phenoxy)-propylamin

Refernces

• 1、 Waszkielewicz, Anna M.,Pytka, Karolina,Rapacz, Anna,We?na, Elzbieta,Jarzyna, Monika,Sata?a, Grzegorz,Bojarski, Andrzej,Sapa, Jacek,Zmudzki, Pawe?,Filipek, Barbara,Marona, Henryk. "Synthesis and evaluation of antidepressant-like activity of some 4-substituted 1-(2-methoxyphenyl) piperazine derivatives". . p. 326 - 335. Retrieved 2015/03/04.