2-Ethoxy-4-formylphenyl acetate

Base Information

• Chemical Name: 2-Ethoxy-4-formylphenyl acetate
• CAS No.: 72207-94-4
• Molecular Formula: C11H12O4
• Molecular Weight: 208.214
• Hs Code.: 2915390090
• European Community (EC) Number: 676-943-2
• DSSTox Substance ID: DTXSID8072530
• Nikkaji Number: J447.105I
• Wikidata: Q72471636
• Mol file: 72207-94-4.mol

Synonyms:2-ethoxy-4-formylphenyl acetate;72207-94-4;4-Acetoxy-3-ethoxybenzaldehyde;Ethyl vanillin acetate;(2-ethoxy-4-formylphenyl) acetate;Ethylvanillin acetate;Benzaldehyde, 4-(acetyloxy)-3-ethoxy-;BRN 3305672;3-08-00-02030 (Beilstein Handbook Reference);4-formyl-2-ethoxyphenyl ethanoate;(2-ethoxy-4-formyl-phenyl) acetate;ethyl vanilline acetate;2-ethoxy-4-formylphenylacetate;SCHEMBL1254905;DTXSID8072530;AKOS B004453;4-(Acetyloxy)-3-ethoxybenzaldehyde;BBL015304;MFCD01666413;s9337;STK347791;AKOS000304595;CCG-266638;DS-11904;LS-24914;HY-107820;CS-0030697;E1415;EN300-227951;A923813;SR-01000242024;SR-01000242024-1;Z57887892

Chemical Property of 2-Ethoxy-4-formylphenyl acetate

Chemical Property:

• Vapor Pressure: 0.000904mmHg at 25°C
• Melting Point: 45 °C
• Refractive Index: 1.533
• Boiling Point: 303.9 °C at 760 mmHg
• Flash Point: 131.9 °C
• PSA: 52.60000
• Density: 1.161 g/cm³
• LogP: 1.82310
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air Sensitive
• Solubility.: soluble in Methanol
• Water Solubility.: Soluble in water (986.4 mg / L) at 25°C.
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 208.07355886
• Heavy Atom Count: 15
• Complexity: 227

Purity/Quality:

99% ^*data from raw suppliers

2-Ethoxy-4-formylphenyl Acetate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=CC(=C1)C=O)OC(=O)C
• Uses: 4-Acetoxy-3-ethoxybenzaldehyde is used in organic synthesis. It is used as catalytic agent; petrochemical additive.

Technology Process of 2-Ethoxy-4-formylphenyl acetate

There total 3 articles about 2-Ethoxy-4-formylphenyl acetate 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%

4-hydroxy-3-ethoxybenzaldehyde (121-32-4) + acetyl chloride (75-36-5) → 2-ethoxy-4-formylphenyl acetate (72207-94-4)

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; for 0.5h;

Reference yield:

acetic anhydride (108-24-7) + vanillin (121-33-5,8014-42-4) → 2-ethoxy-4-formylphenyl acetate (72207-94-4)

Guidance literature:

With potassium hydroxide; In water; at 20 - 23 ℃;

DOI:10.1007/s11167-005-0242-y

Reference yield:

4-hydroxy-3-ethoxybenzaldehyde (121-32-4) + acetic anhydride (108-24-7) → 2-ethoxy-4-formylphenyl acetate (72207-94-4)

Guidance literature:

With potassium hydroxide;

upstream raw materials:

4-hydroxy-3-ethoxybenzaldehyde

acetic anhydride

acetyl chloride

vanillin

Downstream raw materials:

Acetic acid 2-ethoxy-4-thiazolidin-2-yl-phenyl ester

C₁₇H₁₈N₂O₃

C₂₉H₂₆N₄O₃

methyl (E,S)-2-(4-acetoxy-3-ethoxybenzylideneamino)-3-phenylpropionate

Refernces

• 1、 Kozlov,Basalaeva,Dikusar. "Vanillal esters in reaction with 2-naphthylamine and 1,3-diketones". . p. 1637 - 1646. Retrieved 2007/10/03.
• 2、 Dikusar,Vyglazov,Moiseichuk,Zhukovskaya,Kozlov. "Preparative synthesis of vanillin and vanillal alkanoates". . p. 120 - 124. Retrieved 2007/10/03.