3-(2-Bromoethoxy)benzaldehyde

Base Information

• Chemical Name: 3-(2-Bromoethoxy)benzaldehyde
• CAS No.: 186191-19-5
• Molecular Formula: C9H9BrO2
• Molecular Weight: 229.073
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID90370800
• Nikkaji Number: J1.349.921G
• Wikidata: Q82157963
• Mol file: 186191-19-5.mol

Synonyms:3-(2-bromoethoxy)benzaldehyde;186191-19-5;3-(2-Bromoethoxy)benzenecarbaldehyde;3-(2-bromoethoxyl)benzaldehyde;SCHEMBL1607743;DTXSID90370800;FYSRAGLPXRVAPN-UHFFFAOYSA-N;BBL028853;MFCD00665178;STK801570;AKOS000113685;3-(2-Bromoethoxy)benzenecarboxaldehyde;CS-0118510;3G-935

Chemical Property of 3-(2-Bromoethoxy)benzaldehyde

Chemical Property:

• Boiling Point: 126-130°C 0,2mm
• PSA: 26.30000
• LogP: 2.27280
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 227.97859
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

98%min ^*data from raw suppliers

3-(2-Bromoethoxy)benzenecarboxaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(2-Bromoethoxy)benzaldehyde

There total 7 articles about 3-(2-Bromoethoxy)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: 96.0%

3-(2-hydroxyethoxy)benzaldehyde (60345-97-3) → m-(2-bromoethyloxy)benzaldehyde (186191-19-5)

Guidance literature:

With 1H-imidazole; bromine; triphenylphosphine; In dichloromethane; at 0 ℃; for 1h;

DOI:10.1021/jo501116g

Reference yield: 91.0%

meta-hydroxybenzaldehyde (100-83-4) + ethylene dibromide (106-93-4) → m-(2-bromoethyloxy)benzaldehyde (186191-19-5)

Guidance literature:

With potassium carbonate; In acetonitrile; Reflux;

DOI:10.1016/j.biopha.2021.111678

Reference yield: 84.0%

potassium carbonate (584-08-7) + meta-hydroxybenzaldehyde (100-83-4) + ethylene dibromide (106-93-4) → m-(2-bromoethyloxy)benzaldehyde (186191-19-5)

Guidance literature:

In acetonitrile;

upstream raw materials:

meta-hydroxybenzaldehyde

ethylene dibromide

potassium carbonate

1,1-Dibromoethane

Downstream raw materials:

3-((2-bromoethyl)oxy)benzaldehyde ethylene acetal

3-(2-(piperidin-1-yl)ethoxy)benzaldehyde

3-[2-(4-morpholinyl)ethoxy]benzaldehyde

3-(2-(dimethylamino)ethoxy)benzaldehyde

Refernces

• 1、 Cao, Xiaoyu,Chen, Hang,Chen, Si,Ouyang, Jie,Tian, Zhongqun,Utz, Marcel,Wang, Xinchang,Wang, Xiuxiu,Yang, Liulin,You, Lei,Zhuo, Youzhen. "Quantification and Prediction of Imine Formation Kinetics in Aqueous Solution by Microfluidic NMR Spectroscopy". . p. 9508 - 9513. Retrieved 2021.
• 2、 Sava, Alexandru,Buron, Frederic,Routier, Sylvain,Panainte, Alina,Bibire, Nela,Profire, Lenu?a. "New nitric oxide-releasing indomethacin derivatives with 1,3-thiazolidine-4-one scaffold: Design, synthesis, in silico and in vitro studies". . . Retrieved 2021/05/10.
• 3、 Sava, Alexandru,Buron, Frederic,Routier, Sylvain,Panainte, Alina,Bibire, Nela,Constantin, Sandra M?d?lina,Lupa?cu, Florentina Geanina,Foc?a, Alin Viorel,Profire, Lenu?a. "Design, synthesis, in silico and in vitro studies for new nitric oxide‐releasing indomethacin derivatives with 1,3,4‐oxadiazole‐2‐thiol scaffold". . . Retrieved 2021/07/07.