2-((4-(Dimethylamino)phenyl)methylene)-3(2H)-benzofuranone

Base Information

• Chemical Name: 2-((4-(Dimethylamino)phenyl)methylene)-3(2H)-benzofuranone
• CAS No.: 70170-84-2
• Molecular Formula: C₁₇H₁₅NO₂
• Molecular Weight: 265.312
• Nikkaji Number: J2.472.935D
• Wikidata: Q76312729
• Pharos Ligand ID: PVS3SNRRR48T
• ChEMBL ID: CHEMBL3909388
• Mol file: 70170-84-2.mol

Synonyms:CHEMBL3909388;2-((4-(Dimethylamino)phenyl)methylene)-3(2H)-benzofuranone;3(2H)-Benzofuranone, 2-((4-(dimethylamino)phenyl)methylene)-;70170-84-2;SCHEMBL21263019;BDBM50198764;AKOS024328841;LS-35327;2-[(E)-4-(Dimethylamino)benzylidene]benzofuran-3(2H)-one;(2E)-2-[4-(dimethylamino)benzylidene]-1-benzofuran-3(2H)-one

Chemical Property of 2-((4-(Dimethylamino)phenyl)methylene)-3(2H)-benzofuranone

Chemical Property:

• Vapor Pressure: 2.86E-08mmHg at 25°C
• Boiling Point: 449.5°Cat760mmHg
• Flash Point: 225.6°C
• Density: 1.252g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 265.110278721
• Heavy Atom Count: 20
• Complexity: 394

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC=C(C=C1)C=C2C(=O)C3=CC=CC=C3O2
• Isomeric SMILES: CN(C)C1=CC=C(C=C1)/C=C/2\C(=O)C3=CC=CC=C3O2

Technology Process of 2-((4-(Dimethylamino)phenyl)methylene)-3(2H)-benzofuranone

There total 2 articles about 2-((4-(Dimethylamino)phenyl)methylene)-3(2H)-benzofuranone 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:

2'-hydroxy-4-dimethylaminochalcone (65786-13-2,6342-97-8) → NL-31 (70170-84-2,112980-33-3)

Guidance literature:

With mercury(II) diacetate;

DOI:10.1021/acs.analchem.0c00456

Reference yield:

3-oxo-2,3-dihydrobenzo[b]furan (7169-34-8) + 4-dimethylamino-benzaldehyde (100-10-7) → NL-31 (70170-84-2,112980-33-3)

Guidance literature:

With sodium hydroxide; at 50 - 60 ℃;

Reference yield: 95.0%

NL-31 (70170-84-2,112980-33-3) + 4-phenyl-4-vinyl-1,3-dioxolan -2-one (1459246-62-8) → 6'-(4-(dimethylamino)phenyl)-2'-hydroxy-3'-phenyl-3H-spiro[benzofuran-2,1'-cyclohex[3]en]-3-one

Guidance literature:

With titanium(IV) isopropylate; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; o-phenylenebis(diphenylphosphine); In toluene; at 24 ℃; for 18h; diastereoselective reaction; Glovebox; Inert atmosphere;

DOI:10.1002/anie.201804160

upstream raw materials:

3-oxo-2,3-dihydrobenzo[b]furan

4-dimethylamino-benzaldehyde

2'-hydroxy-4-dimethylaminochalcone