2-Bromo-4,5-diethoxybenzaldehyde

Base Information

• Chemical Name: 2-Bromo-4,5-diethoxybenzaldehyde
• CAS No.: 91335-51-2
• Molecular Formula: C11H13BrO3
• Molecular Weight: 273.12
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID70356142
• Nikkaji Number: J3.022.672K
• Wikidata: Q82135340
• ChEMBL ID: CHEMBL1540915
• Mol file: 91335-51-2.mol

Synonyms:2-bromo-4,5-diethoxybenzaldehyde;91335-51-2;HMS2692K24;MLS000770730;CHEMBL1540915;DTXSID70356142;BBL013987;MFCD02256846;STK045225;AKOS000118342;SMR000343893;VS-04092;CS-0116929;EN300-14205;AN-655/15531053;SR-01000074006;SR-01000074006-1;Z57313792

Chemical Property of 2-Bromo-4,5-diethoxybenzaldehyde

Chemical Property:

• Vapor Pressure: 6.97E-05mmHg at 25°C
• Refractive Index: 1.551
• Boiling Point: 343.6 °C at 760 mmHg
• Flash Point: 161.6 °C
• PSA: 35.53000
• Density: 1.377 g/cm³
• LogP: 3.05900
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 272.00481
• Heavy Atom Count: 15
• Complexity: 198

Purity/Quality:

98%min ^*data from raw suppliers

2-Bromo-4,5-diethoxybenzaldehyde ^*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)OCC

Technology Process of 2-Bromo-4,5-diethoxybenzaldehyde

There total 3 articles about 2-Bromo-4,5-diethoxybenzaldehyde 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: 88.0%

3,4-diethoxybenzaldehyde (2029-94-9) → 2-bromo-4,5-diethoxybenzaldehyde (91335-51-2)

Guidance literature:

With bromine; In acetic acid; at 35 ℃; for 24h;

DOI:10.1002/hlca.201100128

Reference yield:

3,4-dihydroxybenzaldehyde (139-85-5) → 2-bromo-4,5-diethoxybenzaldehyde (91335-51-2)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate; potassium iodide / N,N-dimethyl-formamide / 12 h / 20 °C

2: bromine / acetic acid / 24 h / 35 °C

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

DOI:10.1002/hlca.201100128

Reference yield:

→ 2-bromo-4,5-diethoxybenzaldehyde (91335-51-2)

Guidance literature:

3,4-Diaethoxy-benzaldehyd, Br2, AcOH, Δ;

upstream raw materials:

3,4-diethoxybenzaldehyde

3,4-dihydroxybenzaldehyde

Downstream raw materials:

2-(1,3-dioxolan-2-yl)-4,5-diethoxybenzonitrile

4,5-diethoxy-2-formylbenzonitrile

2-(2-bromo-4,5-diethoxyphenyl)-1,3-dioxolane

bis-1,4-(tert-butyldimethylsiloxymethyl)-bis-2,5-(2'-formyl-4',5'-diethoxyphenyl-ethynyl)benzene

Refernces