4-(2-Butoxyethoxy)benzaldehyde

Base Information

• Chemical Name: 4-(2-Butoxyethoxy)benzaldehyde
• CAS No.: 63735-44-4
• Molecular Formula: C₁₃H₁₈O₃
• Molecular Weight: 222.284
• ChEMBL ID: CHEMBL574459
• DSSTox Substance ID: DTXSID00601016
• Wikidata: Q82497396

Synonyms:4-(2-Butoxyethoxy)benzaldehyde;CHEMBL574459;63735-44-4;SCHEMBL3681798;DTXSID00601016;LXFUAPGMBNAONH-UHFFFAOYSA-N;BDBM50378339;AKOS009261365

Chemical Property of 4-(2-Butoxyethoxy)benzaldehyde

Chemical Property:

• PSA: 35.53000
• LogP: 2.69460
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 222.125594432
• Heavy Atom Count: 16
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOCCOC1=CC=C(C=C1)C=O

Technology Process of 4-(2-Butoxyethoxy)benzaldehyde

There total 2 articles about 4-(2-Butoxyethoxy)benzaldehyde 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: 74.0%

2-butoxyethyl-4-methylbenzene sulfonate (6661-54-7) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-(2-butoxyethoxy)benzaldehyde (63735-44-4)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; for 16h; Reflux;

DOI:10.1016/j.ejmech.2009.11.007

Reference yield:

2-Butoxyethanol (111-76-2,9004-77-7) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-(2-butoxyethoxy)benzaldehyde (63735-44-4)

Guidance literature:

2-Butoxyethanol; 4-hydroxy-benzaldehyde; With p-toluenesulfonyl chloride; sodium hydroxide; at 0 ℃; for 5h;

With potassium carbonate; In tetrahydrofuran; for 16h; Reflux;

DOI:10.1248/cpb.58.752

Reference yield: 93.0%

4,6-dihydroxy-2-mercaptopyrimidine (504-17-6,157796-99-1,924832-30-4) + 4-(2-butoxyethoxy)benzaldehyde (63735-44-4) → 5-(4-(2-butoxyethoxy)benzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (1189045-10-0)

Guidance literature:

In ethanol; at 80 ℃; for 2h;

DOI:10.1016/j.ejmech.2009.05.023

upstream raw materials:

2-butoxyethyl-4-methylbenzene sulfonate

4-hydroxy-benzaldehyde

2-Butoxyethanol

Downstream raw materials:

5-(4-(2-butoxyethoxy)benzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione

5-(4-(2-butoxyethoxy)benzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

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