2H-1-Benzopyran-2-one, 7-(ethylamino)-4-methyl-

Base Information

• Chemical Name: 2H-1-Benzopyran-2-one, 7-(ethylamino)-4-methyl-
• CAS No.: 28821-18-3
• Molecular Formula: C12H13 N O2
• Molecular Weight: 203.241
• Hs Code.: 2932209090
• European Community (EC) Number: 249-257-2
• DSSTox Substance ID: DTXSID1067417
• Nikkaji Number: J286.462B
• Wikidata: Q63398467
• Mol file: 28821-18-3.mol

Synonyms:coumarin 445

Chemical Property of 2H-1-Benzopyran-2-one, 7-(ethylamino)-4-methyl-

Chemical Property:

• Vapor Pressure: 8.22E-06mmHg at 25°C
• Melting Point: 152.0 to 156.0 °C
• Boiling Point: 374.7°Cat760mmHg
• Flash Point: 180.4°C
• PSA: 42.24000
• Density: 1.188g/cm³
• LogP: 2.60620
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 203.094628657
• Heavy Atom Count: 15
• Complexity: 285

Purity/Quality:

98%,99%, ^*data from raw suppliers

7-(Ethylamino)-4-methylcoumarin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Dyes -> Coumarin Dyes
• Canonical SMILES: CCNC1=CC2=C(C=C1)C(=CC(=O)O2)C

Technology Process of 2H-1-Benzopyran-2-one, 7-(ethylamino)-4-methyl-

There total 19 articles about 2H-1-Benzopyran-2-one, 7-(ethylamino)-4-methyl- 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: 94.0%

7-[ethyl-(4-methanesulfonylphenyl)amino]-4-methylcoumarin (1346523-56-5) → 4-methyl-7-ethylamino-2H-benzopyran-2-one (28821-18-3)

Guidance literature:

With sulfuric acid; at 90 ℃; for 12h;

DOI:10.1016/j.dyepig.2011.08.020

Reference yield: 77.0%

3-(ethylamino)phenol (621-31-8) + ethyl acetoacetate (141-97-9) → 4-methyl-7-ethylamino-2H-benzopyran-2-one (28821-18-3)

Guidance literature:

With zinc(II) chloride; In ethanol; for 12h; Reflux;

DOI:10.1021/ja403851p

Reference yield: 62.0%

7-amino-4-methylcoumarin. (26093-31-2) → 4-methyl-7-ethylamino-2H-benzopyran-2-one (28821-18-3)

Guidance literature:

7-amino-4-methylcoumarin.; With potassium carbonate; In N,N-dimethyl-formamide; at 0 ℃; for 0.25h;

haloethane; In N,N-dimethyl-formamide; at 60 ℃;

DOI:10.1016/j.ejmech.2019.111923

upstream raw materials:

7-diethylamino-4-methylcoumarin

3-(ethylamino)phenol

ethyl acetoacetate

7-[ethyl-(4-methanesulfonylphenyl)amino]-4-methylcoumarin

Downstream raw materials:

4-{[ethyl-(4-methylcoumarin-7-yl)amino]methyl}benzoic acid methyl ester

4-{[ethyl-(4-methylcoumarin-7-yl)amino]methyl}benzoic acid

4-(7-(ethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)-benzaldehyde

C₁₉H₁₆INO₃

Refernces

• 1、 -. "BENZOPYRANE AND IMIDAZOLE DERIVATIVES USEFUL FOR THE STABILIZATION OF AMYLOIDOGENIC IMMUNOGLOBULIN LIGHT CHAINS". Paragraph 00105; 00363. . Retrieved 2020/10/19.
• 2、 Chang, Min Jung,Joo, Jin Hui,Lee, Min Hee. "Acrylamide-Coumarin-Benzaldehyde as a Turn-on Fluorescent Probe Providing an Enhanced Water Solubility for Detection of Cysteine and Homocysteine". . p. 539 - 543. Retrieved 2019/05/07.