4-Ethoxy-3-methoxybenzaldehyde

Base Information

• Chemical Name: 4-Ethoxy-3-methoxybenzaldehyde
• CAS No.: 120-25-2
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 29124900
• European Community (EC) Number: 204-382-1
• NSC Number: 62097,16945
• UNII: EM2BBS3H88
• DSSTox Substance ID: DTXSID3059509
• Nikkaji Number: J136.528B
• Wikidata: Q72471748
• Metabolomics Workbench ID: 43982
• Mol file: 120-25-2.mol

Synonyms:4-Ethoxy-3-methoxybenzaldehyde;120-25-2;4-Ethoxy-m-anisaldehyde;4-Ethoxy-3-anisaldehyde;Benzaldehyde, 4-ethoxy-3-methoxy-;vanillin ethyl ether;MFCD00016614;EM2BBS3H88;3-methoxy-4-ethoxybenzaldehyde;EINECS 204-382-1;NSC 16945;NSC-16945;AI3-21263;Ethylvanillin?;4-ethoxy-3-methoxy-benzaldehyde;4-Ethoxyvanillin;NSC16945;bmse010097;UNII-EM2BBS3H88;SCHEMBL356800;3-methoxy-4-ethoxy-benzaldehyde;DTXSID3059509;CHEBI:173856;NSC62097;BBL023007;NSC-62097;STK036493;4-Ethoxy-3-methoxybenzaldehyde, 98%;AKOS000119708;AM10378;AS-61246;SY048300;CS-0075664;E0406;FT-0618376;EN300-16103;N11911;A853276;AG-205/01773011;J-004289;Z53833578;F1791-0527

Chemical Property of 4-Ethoxy-3-methoxybenzaldehyde

Chemical Property:

• Appearance/Colour: yellow fine crystalline powder
• Vapor Pressure: 0.0022mmHg at 25°C
• Melting Point: 50-53 °C(lit.)
• Refractive Index: 1.528
• Boiling Point: 289.424 °C at 760 mmHg
• Flash Point: 119.638 °C
• PSA: 35.53000
• Density: 1.088 g/cm³
• LogP: 1.90640
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air Sensitive
• Water Solubility.: slightly soluble
• 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%,99%, ^*data from raw suppliers

4-Ethoxy-3-methoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=C(C=C1)C=O)OC
• Uses: Intermediate.

Technology Process of 4-Ethoxy-3-methoxybenzaldehyde

There total 55 articles about 4-Ethoxy-3-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: 97.0%

diethyl sulfate (64-67-5) + vanillin (121-33-5,8014-42-4) → 4-ethoxy-3-methoxybenzaldehyde (120-25-2)

Guidance literature:

With potassium carbonate; In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; water; acetonitrile;

Reference yield: 85.0%

vanillin (121-33-5,8014-42-4) + ethyl iodide (75-03-6) → 4-ethoxy-3-methoxybenzaldehyde (120-25-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 3h;

DOI:10.1039/d0ra08134e

Reference yield: 20.0%

ethyl isoeugenol (7784-67-0) → 4-ethoxy-3-methoxybenzoic acid (3535-30-6) + 2,6-diethoxy-3,7-dimethoxy-anthraquinone (110050-99-2) + 4-ethoxy-3-methoxybenzaldehyde (120-25-2) + 6-Ethoxy-5-methoxy-2-methyl-benzofuran-3-one

Guidance literature:

With chromium(VI) oxide; perchloric acid; acetonitrile; at 0 - 5 ℃; for 3h; Further byproducts given;

DOI:10.1248/cpb.41.1507

upstream raw materials:

4-allyl-1-ethoxy-2-methoxybenzene

4-ethoxycarboxy-3-methoxybenzaldehyde

diethyl sulfate

vanillin

Downstream raw materials:

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

4-(4-ethoxy-3-methoxy-benzylidene)-2-phenyl-4H-oxazol-5-one

2-Phenyl-4-(3-methoxy-4-ethoxybenzal)-5-oxo-oxazolin

4-ethoxy-3-methoxy-benzaldehyde S-benzothiazol-2-yl-thiooxime

Refernces

• 1、 Sowmya,Lokanatha Rai. "Synthesis and characterization of new homologous series of unsymmetrical liquid crystalline compounds based on chalcones and 3, 5-disubstituted isoxazoles". . p. 67 - 73. Retrieved 2017.
• 2、 -. "COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING NASH, NAFLD, AND OBESITY". Paragraph 00285. . Retrieved 2021/04/10.
• 3、 Lakó, ágnes,Mendon?a, Ricardo,Molnár, Zsófia,Poppe, László. "Transaminase-mediated synthesis of enantiopure drug-like 1-(3′,4′-disubstituted phenyl)propan-2-amines". . p. 40894 - 40903. Retrieved 2020/11/23.