2H-1-Benzopyran-2-one, 3-[(2E)-3-(dimethylamino)-1-oxo-2-propenyl]-

Base Information

• Chemical Name: 2H-1-Benzopyran-2-one, 3-[(2E)-3-(dimethylamino)-1-oxo-2-propenyl]-
• CAS No.: 371756-61-5
• Molecular Formula: C14H13NO3
• Molecular Weight: 243.262
• DSSTox Substance ID: DTXSID00394476
• Mol file: 371756-61-5.mol

Synonyms:2H-1-Benzopyran-2-one, 3-[(2E)-3-(dimethylamino)-1-oxo-2-propenyl]-;3-[3-(dimethylamino)prop-2-enoyl]-2H-chromen-2-one;3-[3-(dimethylamino)prop-2-enoyl]chromen-2-one;DTXSID00394476;3-[3-(dimethylamino)-1-oxo-2-propenyl]chromen-2-one

Chemical Property of 2H-1-Benzopyran-2-one, 3-[(2E)-3-(dimethylamino)-1-oxo-2-propenyl]-

Chemical Property:

• PSA: 50.52000
• LogP: 2.05100
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 243.08954328
• Heavy Atom Count: 18
• Complexity: 409

Purity/Quality:

3-[3-(Dimethylamino)acryloyl]-2H-chromen-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C=CC(=O)C1=CC2=CC=CC=C2OC1=O

Technology Process of 2H-1-Benzopyran-2-one, 3-[(2E)-3-(dimethylamino)-1-oxo-2-propenyl]-

There total 1 articles about 2H-1-Benzopyran-2-one, 3-[(2E)-3-(dimethylamino)-1-oxo-2-propenyl]- 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-acetylcoumarin (3949-36-8) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → ((E)-3-(3-(dimethylamino)acryloyl))-2H-chromen-2-one (371756-61-5)

Guidance literature:

for 0.0833333h; microwave irradiation;

DOI:10.3390/80700541

Reference yield: 92.0%

sulfamerazina (127-79-7) + ((E)-3-(3-(dimethylamino)acryloyl))-2H-chromen-2-one (371756-61-5) → (Z)-N-(4-methylpyrimidin-2-yl)-4-(3-oxo-3-(2-oxo-2H-chromen-3-yl)prop-1-enylamino)benzenesulfonamide

Guidance literature:

In ethanol; for 21h; Reflux;

DOI:10.1016/j.ejmech.2016.10.020

Reference yield: 91.0%

sulfanilamide (63-74-1) + ((E)-3-(3-(dimethylamino)acryloyl))-2H-chromen-2-one (371756-61-5) → (Z)-4-(3-oxo-3-(2-oxo-2H-chromen-3-yl)prop-1-enylamino) benzenesulfonamide

Guidance literature:

In ethanol; for 21h; Reflux;

DOI:10.1016/j.ejmech.2016.10.020

upstream raw materials:

3-acetylcoumarin

N,N-dimethyl-formamide dimethyl acetal

Downstream raw materials:

5-hydroxy-3-(coumarin-3'-oyl)naphtho[1,2-b]furan