1-(2-Bromoethoxy)-3-methylbenzene

Base Information

• Chemical Name: 1-(2-Bromoethoxy)-3-methylbenzene
• CAS No.: 6512-13-6
• Molecular Formula: C9H11 Br O
• Molecular Weight: 215.09
• Hs Code.: 2909309090
• European Community (EC) Number: 871-027-0
• DSSTox Substance ID: DTXSID80215433
• Wikidata: Q83091483
• Mol file: 6512-13-6.mol

Synonyms:1-(2-Bromoethoxy)-3-methylbenzene;6512-13-6;1-(2-Bromo-ethoxy)-3-methyl-benzene;2-Bromoethyl m-tolyl ether;beta-Bromo-m-methylphenetole;Benzene, 1-(2-bromoethoxy)-3-methyl-;Phenetole, beta-bromo-m-methyl-;1-Bromo-2-(m-methylphenoxy)ethane;Enamine_005163;SCHEMBL3160942;DTXSID80215433;2-bromoethyl 3-methylphenyl ether;HMS1408K15;BBL029542;STL371974;1-(2-Bromo-ethoxy)-3-methylbenzene;AKOS000199839;IDI1_007750;VS-09288;BB 0217928;CS-0117203;FT-0732113;EN300-04761;D86494;Z56886266

Chemical Property of 1-(2-Bromoethoxy)-3-methylbenzene

Chemical Property:

• Vapor Pressure: 0.0151mmHg at 25°C
• Boiling Point: 130-131 °C (15 mmHg)
• Flash Point: 150 °C
• PSA: 9.23000
• Density: 1.349g/cm³
• LogP: 2.76870
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 213.99933
• Heavy Atom Count: 11
• Complexity: 106

Purity/Quality:

98%min ^*data from raw suppliers

1-(2-Bromo-ethoxy)-3-methyl-benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-20/22
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)OCCBr

Technology Process of 1-(2-Bromoethoxy)-3-methylbenzene

There total 4 articles about 1-(2-Bromoethoxy)-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: 76.0%

3-methyl-phenol (108-39-4) + ethylene dibromide (106-93-4) → 1-(2-bromoethoxy)-3-methylbenzene (6512-13-6)

Guidance literature:

With potassium carbonate; potassium iodide; In acetone; at 60 ℃;

DOI:10.1021/acs.jmedchem.8b00828

Reference yield: 54.0%

→ 1-(2-bromoethoxy)-3-methylbenzene (6512-13-6)

Guidance literature:

With sodium hydroxide; In water; at 130 ℃; for 16h;

Reference yield:

ethylene dibromide (106-93-4) → 1-(2-bromoethoxy)-3-methylbenzene (6512-13-6)

Guidance literature:

With ethanol;

upstream raw materials:

3-methyl-phenol

ethylene dibromide

Downstream raw materials:

2-(m-tolyloxy)ethanamine

trimethyl-(2-m-tolyloxy-ethyl)-ammonium; bromide

cyclopropyl-(2-m-tolyloxyethyl)amine

Benzyl-(2-m-tolyloxy-ethyl)-amine