4-Ethylsalicylaldehyde

Base Information

• Chemical Name: 4-Ethylsalicylaldehyde
• CAS No.: 161876-64-8
• Molecular Formula: C9H10 O2
• Molecular Weight: 150.177
• Hs Code.: 2914500090
• DSSTox Substance ID: DTXSID70437026
• Wikidata: Q82252384
• Mol file: 161876-64-8.mol

Synonyms:4-Ethylsalicylaldehyde;161876-64-8;4-Ethyl-2-hydroxybenzaldehyde;BENZALDEHYDE, 4-ETHYL-2-HYDROXY-;Benzaldehyde, 4-ethyl-2-hydroxy- (9CI);MFCD16997668;4-ethyl-2-hydroxy-benzaldehyde;5-ethyl-2-formylphenol;SCHEMBL1527080;DTXSID70437026;GHKLSRUKZUYUAD-UHFFFAOYSA-N;AKOS027256895;MB23811;DS-10192;SY026477;CS-0160038;C73091;A912220

Chemical Property of 4-Ethylsalicylaldehyde

Chemical Property:

• Boiling Point: 247.3±20.0 °C(Predicted)
• PKA: 8.27±0.10(Predicted)
• PSA: 37.30000
• Density: 1.134±0.06 g/cm3(Predicted)
• LogP: 1.76710
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.068079557
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

97% ^*data from raw suppliers

4-Ethylsalicylaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=C(C=C1)C=O)O

Technology Process of 4-Ethylsalicylaldehyde

There total 9 articles about 4-Ethylsalicylaldehyde 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: 100.0%

C11H14O3 → 5-ethyl-2-formylphenol (161876-64-8)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 20 ℃; for 16h;

DOI:10.1021/acs.jmedchem.7b00785

Reference yield: 98.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 3-ethylphenol (620-17-7) → 5-ethyl-2-formylphenol (161876-64-8)

Guidance literature:

With triethylamine; magnesium chloride; In acetonitrile; at 70 ℃; for 17h;

DOI:10.1016/j.bmc.2010.06.017

Reference yield: 65.0%

3-ethylphenol (620-17-7) + Dichloromethyl methyl ether (4885-02-3) → 5-ethyl-2-formylphenol (161876-64-8) + 2-ethyl-4-hydroxybenzaldehyde (532967-00-3)

Guidance literature:

With titanium tetrachloride; In dichloromethane; at 0 ℃; for 0.75h;

upstream raw materials:

3-ethylphenol

hydrogenchloride

aluminium trichloride

benzene

Downstream raw materials:

4-ethyl-3-methoxy-benzoic acid

4-ethyl-2-[2-(1,1-dimethylethyldimethylsilyloxy)-ethoxy]benzaldehyde

C₁₆H₁₆O₂

6-ethyl-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohexyl)-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one