3-[2-(Dimethylamino)ethoxy]benzaldehyde

Base Information

• Chemical Name: 3-[2-(Dimethylamino)ethoxy]benzaldehyde
• CAS No.: 81068-25-9
• Molecular Formula: C11H15NO2
• Molecular Weight: 193.246
• Hs Code.: 2922509090
• European Community (EC) Number: 800-757-4
• DSSTox Substance ID: DTXSID50445341
• Mol file: 81068-25-9.mol

Synonyms:3-[2-(dimethylamino)ethoxy]benzaldehyde;81068-25-9;3-(2-(Dimethylamino)ethoxy)benzaldehyde;3-(2-Dimethylamino-ethoxy)-benzaldehyde;SCHEMBL901802;DTXSID50445341;QNVOGNNUHYBUHI-UHFFFAOYSA-N;MFCD09675043;AKOS000177145;3-(2-Dimethylamino-ethoxy)benzaldehyde;FS-5145;3-(2-Dimethylamino-1-ethoxy)benzaldehyde;CS-0373965;EN300-36903;Z295452926

Chemical Property of 3-[2-(Dimethylamino)ethoxy]benzaldehyde

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Boiling Point: 303.081oC at 760 mmHg
• Flash Point: 137.099oC
• PSA: 29.54000
• Density: 1.062g/cm3
• LogP: 1.43950
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 193.110278721
• Heavy Atom Count: 14
• Complexity: 171

Purity/Quality:

98%min ^*data from raw suppliers

3-[2-(dimethylamino)ethoxy]benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-[2-(Dimethylamino)ethoxy]benzaldehyde

There total 6 articles about 3-[2-(Dimethylamino)ethoxy]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: 90.0%

dimethyl amine (124-40-3) + m-(2-bromoethyloxy)benzaldehyde (186191-19-5) → 3-(2-(dimethylamino)ethoxy)benzaldehyde (81068-25-9)

Guidance literature:

In methanol; water; at 20 ℃; for 60h;

DOI:10.1002/jhet.47

Reference yield: 56.0%

meta-hydroxybenzaldehyde (100-83-4) + 2-(dimethylamino)ethyl chloride (107-99-3) → 3-(2-(dimethylamino)ethoxy)benzaldehyde (81068-25-9)

Guidance literature:

With sodium methylate; In chlorobenzene; for 15h; Heating;

DOI:10.1135/cccc19831173

Reference yield: 52.0%

2-(N,N-dimethylamino)ethanol (108-01-0) + meta-hydroxybenzaldehyde (100-83-4) → 3-(2-(dimethylamino)ethoxy)benzaldehyde (81068-25-9)

Guidance literature:

meta-hydroxybenzaldehyde; With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 20 ℃; for 0.25h;

2-(N,N-dimethylamino)ethanol; In tetrahydrofuran; at 20 ℃; for 24h;

upstream raw materials:

meta-hydroxybenzaldehyde

2-(dimethylamino)ethyl chloride

(2-chloroethyl)dimethylamine hydrochloride

dimethyl amine

Downstream raw materials:

2-[3-(2-dimethylaminoethoxy)phenyl]-4,5-diphenylimidazole

2-(3-(6-chloro-7-(4-((5-methylisoxazol-3-yl)methyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridin-2-yl)phenoxy)-N,N-dimethylethanamine

C₁₇H₂₉N₃O

6-amino-5-[{3-(2-dimethylaminoethoxy)benzylidene}amino]-1,3-dimethyluracil

Refernces

• 1、 Gumber, Divya,Yadav, Divya,Yadav, Rakesh,Kachler, Sonja,Klotz, Karl Norbert. "Bronchospasmolytic activity and adenosine receptor binding of some newer 1,3-dipropyl-8-phenyl substituted xanthine derivatives". . p. 600 - 609. Retrieved 2020/03/23.
• 2、 Ren, Jing,Xu, Wei,Tang, Le,Su, Minbo,Chen, Danqi,Chen, Yue-Lei,Zang, Yi,Li, Jia,Shen, Jingkang,Zhou, Yubo,Xiong, Bing. "Design and synthesis of benzylpiperidine inhibitors targeting the menin–MLL1 interface". supporting information. p. 4472 - 4476. Retrieved 2016/08/25.