4-(Allyloxy)-3-ethoxybenzaldehyde

Base Information

• Chemical Name: 4-(Allyloxy)-3-ethoxybenzaldehyde
• CAS No.: 225939-36-6
• Molecular Formula: C12H14 O3
• Molecular Weight: 206.241
• Hs Code.: 2912499000
• DSSTox Substance ID: DTXSID70393315
• Wikidata: Q82192056
• Mol file: 225939-36-6.mol

Synonyms:4-(allyloxy)-3-ethoxybenzaldehyde;225939-36-6;3-ethoxy-4-prop-2-enoxybenzaldehyde;3-ethoxy-4-(prop-2-en-1-yloxy)benzaldehyde;SCHEMBL3133543;DTXSID70393315;JHYGKIUUKNSJTF-UHFFFAOYSA-N;BBL013571;MFCD02254126;STK346694;AKOS000196170;3-ethoxy-4-(2-propenyloxy)benzaldehyde;VS-03867;BB 0217852;CS-0117465;EN300-16188;Z54336697

Chemical Property of 4-(Allyloxy)-3-ethoxybenzaldehyde

Chemical Property:

• Vapor Pressure: 0.000201mmHg at 25°C
• Refractive Index: 1.531
• Boiling Point: 327.6°C at 760 mmHg
• Flash Point: 143°C
• PSA: 35.53000
• Density: 1.064g/cm³
• LogP: 2.46260
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 206.094294304
• Heavy Atom Count: 15
• Complexity: 203

Purity/Quality:

98%min ^*data from raw suppliers

4-(Allyloxy)-3-ethoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=CC(=C1)C=O)OCC=C

Technology Process of 4-(Allyloxy)-3-ethoxybenzaldehyde

There total 4 articles about 4-(Allyloxy)-3-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: 97.0%

2-methyl-3-buten-2-ol (115-18-4) + 3-ethoxy-4-hydroxy-5-iodobenzaldehyde (6312-82-9) → 8-Ethoxy-2,2-dimethyl-2H-chromene-6-carbaldehyde (225939-36-6)

Guidance literature:

With sodium hydrogencarbonate; Pd(OAc)2;

Reference yield:

4-hydroxy-3-ethoxybenzaldehyde (121-32-4) + allyl bromide (106-95-6) → 4-(allyloxy)-3-ethoxybenzaldehyde (225939-36-6)

Guidance literature:

With potassium carbonate; In acetone; Reflux;

DOI:10.1016/j.ejmech.2014.03.079

Reference yield:

3-ethoxy-4-hydroxy-5-(3-methyl-but-2-enyl)-benzaldehyde → 8-Ethoxy-2,2-dimethyl-2H-chromene-6-carbaldehyde (225939-36-6)

Guidance literature:

3-ethoxy-4-hydroxy-5-(3-methyl-but-2-enyl)-benzaldehyde; With polystyrene-based selenenyl bromide resin; In dichloromethane; at 0 - 25 ℃; for 0.333333h;

With dihydrogen peroxide; In tetrahydrofuran; at 25 ℃; for 0.333333h; Further stages.;

DOI:10.1021/ja002033k

upstream raw materials:

2-methyl-3-buten-2-ol

3-ethoxy-4-hydroxy-5-iodobenzaldehyde

4-hydroxy-3-ethoxybenzaldehyde

allyl bromide

Downstream raw materials:

(2E)-1-(4-chlorophenyl)-3-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]prop-2-en-1-one

Refernces

• 1、 -. "PHENYL, PYRIDINE, QUINOLINE, ISOQUINOLINE, NAPHTHYRIDINE AND PYRAZINE DERIVATIVES". Page/Page column 43. . Retrieved 2008/06/13.
• 2、 -. "Chromenylmethyl pyrimidinediamines as antibacterial agents". . . Retrieved 2008/06/13.