3,5-Dibromo-2-ethoxybenzaldehyde

Base Information

• Chemical Name: 3,5-Dibromo-2-ethoxybenzaldehyde
• CAS No.: 61657-67-8
• Molecular Formula: C9H8Br2O2
• Molecular Weight: 307.9666
• Hs Code.: 2913000090
• NSC Number: 157342
• DSSTox Substance ID: DTXSID60303206
• Wikidata: Q82048369
• Mol file: 61657-67-8.mol

Synonyms:3,5-dibromo-2-ethoxybenzaldehyde;61657-67-8;NSC157342;SCHEMBL7815397;DTXSID60303206;MHBMBLXXEWUFSQ-UHFFFAOYSA-N;MFCD00087286;STK398332;AKOS000268961;NSC-157342;CS-0221621;FT-0640772;EN300-09612;A833352;SR-01000053045;SR-01000053045-1;Z56985796

Chemical Property of 3,5-Dibromo-2-ethoxybenzaldehyde

Chemical Property:

• Appearance/Colour: off-white solid
• Vapor Pressure: 7.23E-05mmHg at 25°C
• Melting Point: 87 - 87.5 °C
• Refractive Index: 1.602
• Boiling Point: 343 °C at 760 mmHg
• Flash Point: 161.3 °C
• PSA: 26.30000
• Density: 1.77 g/cm³
• LogP: 3.42280
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 307.88706
• Heavy Atom Count: 13
• Complexity: 175

Purity/Quality:

98%min ^*data from raw suppliers

3,5-Dibromo-2-ethoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,5-Dibromo-2-ethoxybenzaldehyde

There total 2 articles about 3,5-Dibromo-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:

ethyl bromide (74-96-4) + 3,5-Dibromosalicylaldehyde (90-59-5) → 3,5-dibromo-2-ethoxybenzaldehyde (61657-67-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃;

DOI:10.1016/j.bmcl.2017.04.048

Reference yield:

3,5-Dibromosalicylaldehyde (90-59-5) + ethyl iodide (75-03-6) → 3,5-dibromo-2-ethoxybenzaldehyde (61657-67-8)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/jo01205a008

Reference yield: 93.0%

1-chloro-4-hydrazinophthalazine (51935-42-3,59275-72-8) + 3,5-dibromo-2-ethoxybenzaldehyde (61657-67-8) → N-(4-Chloro-phthalazin-1-yl)-N'-[1-(3,5-dibromo-2-ethoxy-phenyl)-meth-(E)-ylidene]-hydrazine (87539-62-6)

Guidance literature:

With hydrogenchloride; at 60 ℃; for 0.166667h;

DOI:10.1021/jm00401a010

upstream raw materials:

3,5-Dibromosalicylaldehyde

ethyl iodide

ethyl bromide

Downstream raw materials:

N-(4-Chloro-phthalazin-1-yl)-N'-[1-(3,5-dibromo-2-ethoxy-phenyl)-meth-(E)-ylidene]-hydrazine

6-Chloro-3-(3,5-dibromo-2-ethoxy-phenyl)-[1,2,4]triazolo[3,4-a]phthalazine

3-(3,5-Dibromo-2-ethoxy-phenyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine

Refernces