Benzeneacetic acid, 4-(2-bromoethoxy)-, methyl ester

Base Information

• Chemical Name: Benzeneacetic acid, 4-(2-bromoethoxy)-, methyl ester
• CAS No.: 100125-95-9
• Molecular Formula: C11H13BrO3
• Molecular Weight: 273.126
• European Community (EC) Number: 861-982-1
• DSSTox Substance ID: DTXSID80445157
• Wikidata: Q82263499
• Mol file: 100125-95-9.mol

Synonyms:100125-95-9;Methyl 2-[4-(2-bromoethoxy)phenyl]acetate;Benzeneacetic acid, 4-(2-bromoethoxy)-, methyl ester;SCHEMBL2437986;DTXSID80445157;NCEPIIRKXIJJJM-UHFFFAOYSA-N;Methyl 4-(2-bromoethoxy)benzeneacetate;methyl 4-(2-bromoethoxy)-phenylacetate;CS-0233120;EN300-130946

Chemical Property of Benzeneacetic acid, 4-(2-bromoethoxy)-, methyl ester

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 272.00481
• Heavy Atom Count: 15
• Complexity: 188

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1=CC=C(C=C1)OCCBr

Technology Process of Benzeneacetic acid, 4-(2-bromoethoxy)-, methyl ester

There total 4 articles about Benzeneacetic acid, 4-(2-bromoethoxy)-, methyl ester 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: 62.0%

Methyl 4-hydroxyphenylacetate (14199-15-6) + ethylene dibromide (106-93-4) → methyl 2-(4-(2-bromoethoxy)phenyl)acetate (100125-95-9)

Guidance literature:

With potassium carbonate; potassium iodide; In acetonitrile; for 24h; Reflux;

Reference yield: 60.0%

4-hydroxyphenylacetate (156-38-7) + diethyl ether (60-29-7,927820-24-4) + ethylene dibromide (106-93-4) → methyl 2-(4-(2-bromoethoxy)phenyl)acetate (100125-95-9)

Guidance literature:

With caesium carbonate; In acetonitrile;

Reference yield:

4-hydroxyphenylacetate (156-38-7) + ethylene dibromide (106-93-4) → methyl 2-(4-(2-bromoethoxy)phenyl)acetate (100125-95-9) + 1,2-bis-(4-methoxycarbonylmethyl-phenoxy)-ethane (114946-09-7)

Guidance literature:

With sodium hydroxide; Erwaermen des Reaktionsprodukts mit methanol. HCl;

DOI:10.1007/BF02886269

upstream raw materials:

4-hydroxyphenylacetate

ethylene dibromide

Methyl 4-hydroxyphenylacetate

diethyl ether

Downstream raw materials:

[4-(2-bromo-ethoxy)-phenyl]-acetic acid

[3-bromo-4-(2-bromo-ethoxy)-phenyl]-acetic acid methyl ester

[3,5-dibromo-4-(2-bromo-ethoxy)-phenyl]-acetic acid methyl ester

[4-(2-dimethylamino-ethoxy)-phenyl]-acetic acid ethyl ester