3,4-Diethoxybenzaldehyde

Base Information

• Chemical Name: 3,4-Diethoxybenzaldehyde
• CAS No.: 2029-94-9
• Deprecated CAS: 847896-88-2
• Molecular Formula: C11H14 O3
• Molecular Weight: 194.23
• Hs Code.: 29124990
• European Community (EC) Number: 217-979-7
• NSC Number: 6331
• UNII: 1BI625Z66I
• DSSTox Substance ID: DTXSID3062108
• Nikkaji Number: J150.375H
• Wikidata: Q27252197
• Mol file: 2029-94-9.mol

Synonyms:3,4-Diethoxybenzaldehyde;2029-94-9;Benzaldehyde, 3,4-diethoxy-;3,4-Diethoxy-benzaldehyde;UNII-1BI625Z66I;1BI625Z66I;NSC 6331;NSC-6331;EINECS 217-979-7;MFCD00016607;AI3-02069;3,4-Diethoxy Benzaldehyde;NSC6331;Benzaldehyde,4-diethoxy-;3,4 - diethoxybenzaldehyde;SCHEMBL493684;3-ethoxy-4-ethoxy-benzaldehyde;DTXSID3062108;3,4-Diethoxybenzaldehyde, 97%;SSTRYEXQYQGGAS-UHFFFAOYSA-;BBL005135;STK080608;AKOS000179925;AS-12021;BB 0243267;CS-0117177;D0451;FT-0633983;EN300-49209;D89657;J-013195;Q27252197;Z53836956

Chemical Property of 3,4-Diethoxybenzaldehyde

Chemical Property:

• Appearance/Colour: pale yellow liquid
• Vapor Pressure: 0.000862mmHg at 25°C
• Melting Point: 22°C
• Refractive Index: n20/D 1.5570(lit.)
• Boiling Point: 304.7 °C at 760 mmHg
• Flash Point: 129 °C
• PSA: 35.53000
• Density: 1.097
• LogP: 2.29650
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 170

Purity/Quality:

99% ^*data from raw suppliers

3,4-Diethoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• 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=C(C=C1)C=O)OCC

Technology Process of 3,4-Diethoxybenzaldehyde

There total 22 articles about 3,4-Diethoxybenzaldehyde 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: 92.0%

ethyl iodide (75-03-6) + 3,4-dihydroxybenzaldehyde (139-85-5) → 3,4-diethoxybenzaldehyde (2029-94-9)

Guidance literature:

With potassium carbonate; In acetone; Reflux;

DOI:10.1016/j.ejmech.2012.11.031

Reference yield: 78.0%

1,2-diethoxybenzene (2050-46-6) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 3,4-diethoxybenzaldehyde (2029-94-9)

Guidance literature:

With trichlorophosphate;

DOI:10.1002/prac.199733901100

Reference yield: 50.0%

hexamethylenetetramine (100-97-0) + 1,2-diethoxybenzene (2050-46-6) → 3,4-diethoxybenzaldehyde (2029-94-9)

Guidance literature:

In trifluoroacetic acid; for 12h; Reflux;

DOI:10.1039/c3dt52375f

upstream raw materials:

4-hydroxy-3-ethoxybenzaldehyde

diethyl sulfate

ethyl bromide

4-ethoxy-3-hydroxybenzaldehyde

Downstream raw materials:

(E)-N’-(3',4'-diethoxybenzylidene)isonicotinohydrazide

3,4-diethoxy-trans-chalcone

4-amino-2-(3,4-diethoxy-phenyl)-7-methoxy-chromeno[4,3-d]pyrimidin-5-one

(3,4-diethoxy-phenyl)-pyruvic acid

Refernces

• 1、 -. "ISOINDOLE DERIVATIVE". Paragraph 0233; 0237. . Retrieved 2021/02/25.
• 2、 Charisiadis, Asterios,Bagaki, Anthi,Fresta, Elisa,Weber, Katharina T.,Charalambidis, Georgios,Stangel, Christina,Hatzidimitriou, Antonios G.,Angaridis, Panagiotis A.,Coutsolelos, Athanassios G.,Costa, Rubén D.. "Peripheral Substitution of Tetraphenyl Porphyrins: Fine-Tuning Self-Assembly for Enhanced Electroluminescence". . p. 254 - 265. Retrieved 2018/04/24.