3-Ethoxybenzaldehyde

Base Information

• Chemical Name: 3-Ethoxybenzaldehyde
• CAS No.: 22924-15-8
• Molecular Formula: C9H10O2
• Molecular Weight: 150.177
• Hs Code.: 2912499000
• European Community (EC) Number: 245-333-4
• DSSTox Substance ID: DTXSID60177469
• Nikkaji Number: J70.249H
• Wikidata: Q72471277
• ChEMBL ID: CHEMBL22508
• Mol file: 22924-15-8.mol

Synonyms:3-Ethoxybenzaldehyde;22924-15-8;m-Ethoxybenzaldehyde;Benzaldehyde, 3-ethoxy-;3-Ethoxy-benzaldehyde;Benzaldehyde, m-ethoxy-;MFCD00016606;EINECS 245-333-4;3-ethoxy benzaldehyde;3-Ethoxybenzaldehyde, 98%;CHEMBL22508;SCHEMBL493931;DTXSID60177469;BBL034234;STK500955;AKOS000174779;AS-12020;E1133;FT-0615630;EN300-44025;W-107449;Z53836051

Chemical Property of 3-Ethoxybenzaldehyde

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.0258mmHg at 25°C
• Melting Point: 21oC
• Refractive Index: n20/D 1.542(lit.)
• Boiling Point: 247.3 °C at 760 mmHg
• Flash Point: 106.6 °C
• PSA: 26.30000
• Density: 1.06 g/cm³
• LogP: 1.89780
• Sensitive.: Air Sensitive
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 150.068079557
• Heavy Atom Count: 11
• Complexity: 123

Purity/Quality:

99% ^*data from raw suppliers

3-Ethoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, T
• Hazard Codes: Xi,T
• Statements: 36/37/38-26-22
• Safety Statements: 37/39-26-45-36/37-28

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC1=CC=CC(=C1)C=O

Technology Process of 3-Ethoxybenzaldehyde

There total 10 articles about 3-Ethoxybenzaldehyde 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: 90.0%

ethyl iodide (75-03-6) + meta-hydroxybenzaldehyde (100-83-4) → 3-ethoxybenzaldehyde (22924-15-8)

Guidance literature:

With potassium carbonate; In acetone; for 3h; Reflux;

DOI:10.1016/j.tetlet.2011.04.050

Reference yield: 63.0%

ethyl bromide (74-96-4) + meta-hydroxybenzaldehyde (100-83-4) → 3-ethoxybenzaldehyde (22924-15-8)

Guidance literature:

meta-hydroxybenzaldehyde; With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 0.5h;

ethyl bromide; In N,N-dimethyl-formamide; at 20 ℃; for 6h;

Reference yield:

meta-hydroxybenzaldehyde (100-83-4) → 3-ethoxybenzaldehyde (22924-15-8)

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃;

DOI:10.1248/cpb.c19-00949

upstream raw materials:

ethyl iodide

meta-hydroxybenzaldehyde

3-ethoxytoluene

water

Downstream raw materials:

3-(3-ethoxy-phenyl)-2-methyl-acrylic acid

1-(3-ethoxyphenyl)-N-methylmethanimine

4'-trifluoromethyl-3-hydroxy-benzophenone

9-(3-ethoxyphenyl)-6,9-dihydro[1,3]dioxolo[4,5-g]furo[3,4-b]quinolin-8(5H)-one

Refernces

• 1、 -. "AMINO ACID DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES". Page/Page column 44. . Retrieved 2020/08/13.
• 2、 Bi, Fangchao,Ji, Shengli,Venter, Henrietta,Liu, Jingru,Semple, Susan J.,Ma, Shutao. "Substitution of terminal amide with 1H-1,2,3-triazole: Identification of unexpected class of potent antibacterial agents". supporting information. p. 884 - 891. Retrieved 2018/02/15.