3-Bromo-4-ethoxybenzaldehyde

Base Information

• Chemical Name: 3-Bromo-4-ethoxybenzaldehyde
• CAS No.: 108373-05-3
• Molecular Formula: C9H9BrO2
• Molecular Weight: 229.073
• Hs Code.: 2913000090
• European Community (EC) Number: 833-851-9
• DSSTox Substance ID: DTXSID50363470
• Wikidata: Q82147176
• Mol file: 108373-05-3.mol

Synonyms:3-bromo-4-ethoxybenzaldehyde;108373-05-3;Benzaldehyde, 3-bromo-4-ethoxy-;MFCD00672941;SCHEMBL493460;DTXSID50363470;BBL022968;STL293657;AKOS000290632;AS-19676;SY041357;B5079;D71208;A801866

Chemical Property of 3-Bromo-4-ethoxybenzaldehyde

Chemical Property:

• Melting Point: 70.0 to 74.0 °C
• Boiling Point: 303.9 °C at 760 mmHg
• Flash Point: 137.6 °C
• PSA: 26.30000
• Density: 1.451 g/cm³
• LogP: 2.66030
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: soluble in Methanol
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 227.97859
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Bromo-4-ethoxybenzaldehyde >97.0%(GC) ^*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)C=O)Br

Technology Process of 3-Bromo-4-ethoxybenzaldehyde

There total 2 articles about 3-Bromo-4-ethoxybenzaldehyde 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: 94.0%

3-bromo-4-hydroxybenzylaldehyde (2973-78-6) + ethyl iodide (75-03-6) → 3-bromo-4-ethoxybenzaldehyde (108373-05-3)

Guidance literature:

Reference yield:

4-ethoxybenzaldehyde (10031-82-0) → 3-bromo-4-ethoxybenzaldehyde (108373-05-3)

Guidance literature:

With tetrachloromethane; bromine; iodine;

Reference yield: 40.0%

cycl-isopropylidene malonate (2033-24-1) + 3-bromo-4-ethoxybenzaldehyde (108373-05-3) + 2,6-diaminopyrimidin-4-ol (56-06-4) → 2-amino-5-(3-bromo-4-ethoxyphenyl)-5,8-dihydro-3H,6H-pyrido[2,3-d]pyrimidine-4,7-dione

Guidance literature:

In 1,2-dimethoxyethane; for 24h;

DOI:10.1016/j.ejmech.2022.114160

upstream raw materials:

4-ethoxybenzaldehyde

3-bromo-4-hydroxybenzylaldehyde

ethyl iodide

Downstream raw materials:

(3-bromo-4-ethoxyphenyl)-(4-ethylphenyl)methanol

2-bromo-1-ethoxy-4-(4-ethylbenzyl)benzene

Refernces

• 1、 Wu, Biqi,Boschelli, Diane H.,Lee, Julie,Yang, Xiaoke,Chaudhary, Divya. "Second generation 4-(4-methyl-1H-indol-5-ylamino)-2-phenylthieno[2,3-b]pyridine-5-carbonit rile PKCθ inhibitors". scheme or table. p. 766 - 769. Retrieved 2009/08/07.