3-(2-(Diethylamino)ethyl)-7-hydroxy-4-methylcoumarin

Base Information

• Chemical Name: 3-(2-(Diethylamino)ethyl)-7-hydroxy-4-methylcoumarin
• CAS No.: 49652-64-4
• Molecular Formula: C16H21NO3
• Molecular Weight: 275.348
• DSSTox Substance ID: DTXSID30197952
• Nikkaji Number: J231.937C
• Wikidata: Q83070707
• Mol file: 49652-64-4.mol

Synonyms:49652-64-4;3-(2-(Diethylamino)ethyl)-7-hydroxy-4-methylcoumarin;3-(2-(Diethylamino)ethyl)-7-hydroxy-4-methyl-2H-chromen-2-one;3-[2-(Diethylamino)ethyl]-7-hydroxy-4-methyl-2H-chromen-2-one;2H-1-Benzopyran-2-one, 3-(2-(diethylamino)ethyl)-7-hydroxy-4-methyl-;3-[2-(diethylamino)ethyl]-7-hydroxy-4-methylcoumarin;TimTec1_003500;Oprea1_354418;SCHEMBL1476174;KKSGOOJPXBUJIA-UHFFFAOYSA-;DTXSID30197952;KKSGOOJPXBUJIA-UHFFFAOYSA-N;HMS1543P02;STK678870;AKOS000591085;EU-0053326;AB00112742-01;BRD-K28375400-003-01-9;3-[2-(n,n-diethylamino)ethyl]-7-hydroxy-4-methylcoumarin;3-[2-(Diethylamino)ethyl]-7-hydroxy-4-methyl-2H-chromen-2-one #;3-(2-diethylaminoethyl)-7-hydroxy-4-methylchromen-2-one hydrochloride;InChI=1/C16H21NO3/c1-4-17(5-2)9-8-14-11(3)13-7-6-12(18)10-15(13)20-16(14)19/h6-7,10,18H,4-5,8-9H2,1-3H3

Chemical Property of 3-(2-(Diethylamino)ethyl)-7-hydroxy-4-methylcoumarin

Chemical Property:

• Vapor Pressure: 2.85E-08mmHg at 25°C
• Boiling Point: 437.7°Cat760mmHg
• Flash Point: 218.5°C
• Density: 1.136g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 275.15214353
• Heavy Atom Count: 20
• Complexity: 387

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCC1=C(C2=C(C=C(C=C2)O)OC1=O)C

Technology Process of 3-(2-(Diethylamino)ethyl)-7-hydroxy-4-methylcoumarin

There total 2 articles about 3-(2-(Diethylamino)ethyl)-7-hydroxy-4-methylcoumarin 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:

AMMC (327594-35-4) → 3-(2-(diethylamino)ethyl)-7-hydroxy-4-methyl-2H-chromen-2-one (49652-64-4)

Guidance literature:

With cytochrome P₄₅₀ 2D₆; Enzymatic reaction;

DOI:10.1038/aps.2013.74

Reference yield:

→ 3-(2-(diethylamino)ethyl)-7-hydroxy-4-methyl-2H-chromen-2-one (49652-64-4)

Guidance literature:

3-(β-Brom-ethyl)-4-methyl-7-hydroxy-cumarin, Diethylamin;

DOI:10.1007/BF00764133

Reference yield: 56.0%

3-(2-(diethylamino)ethyl)-7-hydroxy-4-methyl-2H-chromen-2-one (49652-64-4) + 1-chloro-4-phenyl-phthalazine (10132-01-1) → 3-(2-diethylamino-ethyl)-4-methyl-7-(4-phenyl-phthalazin-1-yloxy)-chromen-2-one

Guidance literature:

With potassium carbonate; In xylene; for 3h; Heating;

DOI:10.1515/HC.2003.9.6.641

upstream raw materials:

AMMC

Downstream raw materials:

chromonar