Methyl 3-(2-bromoethoxy)benzoate

Base Information

• Chemical Name: Methyl 3-(2-bromoethoxy)benzoate
• CAS No.: 59516-96-0
• Molecular Formula: C10H11BrO3
• Molecular Weight: 259.1
• Hs Code.: 2918990090
• European Community (EC) Number: 676-637-9
• DSSTox Substance ID: DTXSID00440826
• Wikidata: Q82257253
• Mol file: 59516-96-0.mol

Synonyms:Methyl 3-(2-bromoethoxy)benzoate;59516-96-0;Methyl 3-(2-bromoethoxy)benzenecarboxylate;3-(2-bromo-ethoxy)-benzoic acid methyl ester;SCHEMBL1606555;DTXSID00440826;CGGLKWTURIUCMN-UHFFFAOYSA-N;methyl 3-(2-bromoethoxy)-benzoate;methyl 3-(2-bromoethyloxy)benzoate;MFCD06204041;AKOS005072777;GA-0840;1-Bromo-2-(3'-carbomethoxyphenoxy)ethane;CS-0251555;FT-0681047;EN300-55183;methyl 3-(2-bromoethoxy)benzoate, AldrichCPR;A869183;J-522074

Chemical Property of Methyl 3-(2-bromoethoxy)benzoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.543
• Boiling Point: 324.835 °C at 760 mmHg
• Flash Point: 150.255 °C
• PSA: 35.53000
• Density: 1.431 g/cm³
• LogP: 2.24690
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 257.98916
• Heavy Atom Count: 14
• Complexity: 184

Purity/Quality:

98%min ^*data from raw suppliers

Methyl3-(2-Bromoethoxy)benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=CC=C1)OCCBr
• Uses: Methyl 3-(2-bromoethoxy)benzoate used in pharmaceutical research.

Technology Process of Methyl 3-(2-bromoethoxy)benzoate

There total 4 articles about Methyl 3-(2-bromoethoxy)benzoate 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: 53.0%

methyl 3-hydroxybenzoate (19438-10-9) + ethylene dibromide (106-93-4) → 1-Bromo-2-(3'-carbomethoxyphenoxy)ethane (59516-96-0)

Guidance literature:

With potassium carbonate; In acetone; at 85 ℃; for 24h;

Reference yield: 53.0%

methyl 3-hydroxybenzoate (19438-10-9) + 2-bromoethanol (540-51-2) → 1-Bromo-2-(3'-carbomethoxyphenoxy)ethane (59516-96-0)

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; at 20 ℃; for 16h;

DOI:10.1021/jm990448e

Reference yield:

methyl 3-hydroxybenzoate (19438-10-9) + 2-bromoethanol (540-51-2) → 1-Bromo-2-(3'-carbomethoxyphenoxy)ethane (59516-96-0)

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran;

upstream raw materials:

methyl 3-hydroxybenzoate

2-bromoethanol

ethylene dibromide

Downstream raw materials:

methyl 3-cyclopropoxybenzoate

methyl 3-(vinyloxy)benzoate

C₁₈H₂₃N₃O₉

C₁₈H₂₃N₃O₉

Refernces

• 1、 -. "PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION". Page/Page column 171; 172. . Retrieved 2020/01/11.
• 2、 -. "ORGANIC COMPOUNDS". Page/Page column 103. . Retrieved 2011/04/19.