5-Bromo-2-ethoxybenzoic acid

Base Information

• Chemical Name: 5-Bromo-2-ethoxybenzoic acid
• CAS No.: 60783-90-6
• Molecular Formula: C9H9BrO3
• Molecular Weight: 245.073
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID30410153
• Wikidata: Q82216236
• Mol file: 60783-90-6.mol

Synonyms:5-bromo-2-ethoxybenzoic acid;60783-90-6;5-bromo-2-ethoxy-benzoic Acid;5-bromo-2-ethoxybenzoicacid;3-bromo-6-ethoxybenzoic acid;SCHEMBL3388835;DTXSID30410153;ZCFIATVCNUJMDP-UHFFFAOYSA-N;MFCD02729233;AKOS000112228;VS-04176;CS-0204791;FT-0733451

Chemical Property of 5-Bromo-2-ethoxybenzoic acid

Chemical Property:

• PSA: 46.53000
• LogP: 2.54600
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 243.97351
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

98%min ^*data from raw suppliers

5-Bromo-2-ethoxybenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=C(C=C1)Br)C(=O)O

Technology Process of 5-Bromo-2-ethoxybenzoic acid

There total 4 articles about 5-Bromo-2-ethoxybenzoic acid 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: 89.0%

2-ethoxybenzoic acid (134-11-2) → 5-bromo-2-ethoxy-benzoic acid (60783-90-6)

Guidance literature:

With bromine; acetic acid; at 25 ℃;

DOI:10.1016/j.ejmech.2018.03.005

Reference yield:

5-bromo-2-hydroxy-benzoic acid methyl ester (4068-76-2) + ethyl iodide (75-03-6) → 5-bromo-2-ethoxy-benzoic acid (60783-90-6)

Guidance literature:

With potassium hydroxide; ethanol; at 120 ℃; im geschlossenen Rohr; durch Verseifen mit Kalilauge;

Reference yield:

→ 5-bromo-2-ethoxy-benzoic acid (60783-90-6)

Guidance literature:

With sodium hydroxide; potassium permanganate;

upstream raw materials:

5-bromo-2-hydroxy-benzoic acid methyl ester

ethyl iodide

2-ethoxybenzoic acid

5-bromosalicyclic acid

Downstream raw materials:

methyl 5-bromo-2-ethoxybenzoate

5-chloro-2-ethoxybenzoylchloride