3-Bromo-4-ethoxy-5-methoxybenzaldehyde

Base Information

• Chemical Name: 3-Bromo-4-ethoxy-5-methoxybenzaldehyde
• CAS No.: 90109-65-2
• Molecular Formula: C10H11 Br O3
• Molecular Weight: 259.1
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID40352691
• Wikidata: Q82129960
• Mol file: 90109-65-2.mol

Synonyms:3-bromo-4-ethoxy-5-methoxybenzaldehyde;90109-65-2;3-bromo-4-ethoxy-5-methoxy-benzaldehyde;MFCD02256495;Isophthalic acid (PIA);SCHEMBL14835707;DTXSID40352691;BBL013981;STK198708;AKOS000267451;VS-04086;BB 0243272;CS-0116914;FT-0746876;EN300-04975;SR-01000235466;3-Bromo-4-ethoxy-5-methoxybenzaldehyde, AldrichCPR;SR-01000235466-1;Z56886599

Chemical Property of 3-Bromo-4-ethoxy-5-methoxybenzaldehyde

Chemical Property:

• Vapor Pressure: 0.0002mmHg at 25°C
• Boiling Point: 327.6°Cat760mmHg
• Flash Point: 151.9°C
• PSA: 35.53000
• Density: 1.425g/cm³
• LogP: 2.66890
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 257.98916
• Heavy Atom Count: 14
• Complexity: 186

Purity/Quality:

98%Min ^*data from raw suppliers

3-Bromo-4-ethoxy-5-methoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=C(C=C1Br)C=O)OC

Technology Process of 3-Bromo-4-ethoxy-5-methoxybenzaldehyde

There total 3 articles about 3-Bromo-4-ethoxy-5-methoxybenzaldehyde 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: 97.0%

ethyl bromide (74-96-4) + 5-bromo-4-hydroxy-3-methoxybenzaldehyde (2973-76-4) → 3-bromo-4-ethoxy-5-methoxybenzaldehyde (90109-65-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 2h;

Reference yield: 71.0%

5-bromo-4-hydroxy-3-methoxybenzaldehyde (2973-76-4) + ethyl iodide (75-03-6) → 3-bromo-4-ethoxy-5-methoxybenzaldehyde (90109-65-2)

Guidance literature:

5-bromo-4-hydroxy-3-methoxybenzaldehyde; With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 0.0833333h;

ethyl iodide; In N,N-dimethyl-formamide; at 80 ℃;

DOI:10.1016/j.ejmech.2012.01.045

Reference yield:

vanillin (121-33-5,8014-42-4) → 3-bromo-4-ethoxy-5-methoxybenzaldehyde (90109-65-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: bromine; acetic acid / 1 h / 20 °C

2.1: potassium carbonate / N,N-dimethyl-formamide / 0.08 h / 80 °C

2.2: 80 °C

With bromine; potassium carbonate; acetic acid; In N,N-dimethyl-formamide;

DOI:10.1016/j.ejmech.2012.01.045

upstream raw materials:

5-bromo-4-hydroxy-3-methoxybenzaldehyde

ethyl iodide

ethyl bromide

vanillin

Downstream raw materials:

[1-(3-Bromo-4-ethoxy-5-methoxy-phenyl)-meth-(E)-ylidene]-cyclohexyl-amine

C₁₄H₁₇BrO₄

2-(4-Ethoxy-3-ethylsulfanyl-5-methoxy-phenyl)-ethylamine

2-(4-Ethoxy-3-methoxy-5-methylsulfanyl-phenyl)-ethylamine

Refernces

• 1、 -. "SUBSTITUTED ISOQUINOLINES AND THEIR USE AS TUBULIN POLYMERIZATION INHIBITORS". Page/Page column 191. . Retrieved 2011/12/14.