3-Ethoxy-4-methoxybenzaldehyde

Base Information

• Chemical Name: 3-Ethoxy-4-methoxybenzaldehyde
• CAS No.: 1131-52-8
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 29124990
• European Community (EC) Number: 642-869-4
• NSC Number: 55839
• DSSTox Substance ID: DTXSID90288436
• Nikkaji Number: J150.056B
• Wikidata: Q72471744
• Mol file: 1131-52-8.mol

Synonyms:3-Ethoxy-4-methoxybenzaldehyde;1131-52-8;Benzaldehyde, 3-ethoxy-4-methoxy-;MFCD00010128;3-ethoxy-4-methoxy-benzaldehyde;3-Ethoxy-p-anisaldehyde;3-ethoxy-4-methoxy benzaldehyde;NSC55839;3-ethoxy-4methoxybenzaldehyde;3ethoxy-4-methoxybenzaldehyde;3-Ethoxy-4-methoxybenzaldehyd;SCHEMBL754958;4-methoxy-3-ethoxybenzaldehyde;AMY460;VAMZHXWLGRQSJS-UHFFFAOYSA-;DTXSID90288436;BCP09394;CS-M2547;STR04189;BBL015525;NSC-55839;STK013237;3-Ethoxy-4-methoxybenzaldehyde, 99%;AKOS000120946;(3-ethoxy-4-methoxy-phenyl)-methanone;AC-29738;SY004271;BB 0256993;E0835;FT-0615627;EN300-16146;A802734;J-002901;Z53837672;InChI=1/C10H12O3/c1-3-13-10-6-8(7-11)4-5-9(10)12-2/h4-7H,3H2,1-2H3

Chemical Property of 3-Ethoxy-4-methoxybenzaldehyde

Chemical Property:

• Vapor Pressure: 0.01mmHg at 25°C
• Melting Point: 51 °C
• Refractive Index: 1.536
• Boiling Point: 289.4 °C at 760 mmHg
• Flash Point: 119.6 °C
• PSA: 35.53000
• Density: 1.088 g/cm³
• LogP: 1.90640
• Storage Temp.: room temp
• Sensitive.: Air Sensitive
• Solubility.: Soluble in methanol.
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

≥98% ^*data from raw suppliers

3-Ethoxy-p-anisaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC1=C(C=CC(=C1)C=O)OC
• Uses: 3-Ethoxy-4-methoxybenzaldehyde is used as a pharmaceutical intermediate.

Technology Process of 3-Ethoxy-4-methoxybenzaldehyde

There total 16 articles about 3-Ethoxy-4-methoxybenzaldehyde 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: 98.4%

→ 4-hydroxy-3-ethoxybenzaldehyde (121-32-4) + 3-ethoxy-4-methoxybenzaldehyde (1131-52-8)

Guidance literature:

Reference yield: 96.1%

isovanillin (621-59-0) + ethyl bromide (74-96-4) → 3-ethoxy-4-methoxybenzaldehyde (1131-52-8)

Guidance literature:

With tetrabutyl ammonium fluoride; sodium hydroxide; In water; at 25 ℃; for 4h; Reagent/catalyst;

Reference yield: 96.0%

4-hydroxy-3-ethoxybenzaldehyde (121-32-4) + tetramethlyammonium chloride (75-57-0) → 3-ethoxy-4-methoxybenzaldehyde (1131-52-8)

Guidance literature:

With caesium carbonate; In 1,2-dimethoxyethane; at 145 ℃; for 1h; Microwave irradiation; Inert atmosphere; Sealed vessel;

DOI:10.1016/j.tet.2008.10.024

upstream raw materials:

isovanillin

diethyl sulfate

4-methoxy-3-ethoxy-1-trans-propenyl-benzene

ethyl iodide

Downstream raw materials:

3-ethoxy-4-methoxy phenol

isonicotinic acid-(3-ethoxy-4-methoxy-benzylidenehydrazide)

2-bromo-5-ethoxy-4-methoxybenzaldehyde

[(3-Ethoxy-4-methoxy-phenyl)-hydroxy-methyl]-phosphonic acid diisopropyl ester

Refernces

• 1、 -. "Method for synthesizing isovanillin". Paragraph 0019; 0022-0030; 0040; 0042-0044. . Retrieved 2021/07/31.
• 2、 -. "Synthesis method of 3-ethyoxyl-4-methoxybenzaldehyde". Paragraph 0034-0041. . Retrieved 2018/05/16.