5-Bromo-2-ethoxybenzaldehyde

Base Information

• Chemical Name: 5-Bromo-2-ethoxybenzaldehyde
• CAS No.: 79636-94-5
• Molecular Formula: C9H9BrO2
• Molecular Weight: 229.073
• Hs Code.: 38220090
• NSC Number: 157341
• DSSTox Substance ID: DTXSID20229817
• Nikkaji Number: J410.681D
• Wikidata: Q83110164
• Mol file: 79636-94-5.mol

Synonyms:5-Bromo-2-ethoxybenzaldehyde;79636-94-5;NSC157341;Cambridge id 7211992;SCHEMBL155442;5-bromo-2-ethoxy benzaldehyde;5-bromo-2-ethoxy-benzaldehyde;DTXSID20229817;BBL015523;MFCD00016600;STK052881;AKOS000274328;NSC 157341;NSC-157341;A9922;CS-0116925;FT-0620087;EN300-16120;E74031;J-516913;Z53834335;F3098-6580

Chemical Property of 5-Bromo-2-ethoxybenzaldehyde

Chemical Property:

• Appearance/Colour: white flakes
• Vapor Pressure: 0.000974mmHg at 25°C
• Melting Point: 68-71 °C(lit.)
• Refractive Index: 1.573
• Boiling Point: 302.7 °C at 760 mmHg
• Flash Point: 136.9 °C
• PSA: 26.30000
• Density: 1.451 g/cm³
• LogP: 2.66030
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Air Sensitive
• 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:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): XnXi
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-22
• Safety Statements: 37/39-26-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 5-Bromo-2-ethoxybenzaldehyde

There total 5 articles about 5-Bromo-2-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: 96.3%

ethyl bromide (74-96-4) + 5-bromosalicyclaldehyde (1761-61-1) → 5-bromo-2-ethoxybenzaldehyde (79636-94-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;

DOI:10.1021/acs.jmedchem.9b00219

Reference yield: 50.0%

4-bromo-1-ethoxy-2-methylbenzene (79636-93-4) → 5-bromo-2-ethoxybenzaldehyde (79636-94-5)

Guidance literature:

With pyridine; dipotassium peroxodisulfate; copper(I) sulfate; In water; acetonitrile; at 65 - 70 ℃; for 3h;

DOI:10.1016/S0040-4039(01)90532-5

Reference yield:

5-bromo-2-ethoxybenzyl alcohol (149489-18-9) → 5-bromo-2-ethoxybenzaldehyde (79636-94-5)

Guidance literature:

In dichloromethane;

upstream raw materials:

2-ethoxylbenzaldehyde

4-bromo-1-ethoxy-2-methylbenzene

5-bromo-2-ethoxybenzyl alcohol

ethyl bromide

Downstream raw materials:

2-(5-bromo-2-ethoxyphenyl)ethylamine

trans-tert-butyl {4-[(4'-cyano-4-ethoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate

(E)-3-(5-bromo-2-ethoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one

2-(5-bromo-2-ethoxyphenyl)-3-hydroxy-4H-chromen-4-one