2-(4-ethylphenyl)-1H-indene-1,3(2H)-dione

Base Information

• Chemical Name: 2-(4-ethylphenyl)-1H-indene-1,3(2H)-dione
• CAS No.: 7561-67-3
• Molecular Formula: C₁₇H₁₄O₂
• Molecular Weight: 250.297
• DSSTox Substance ID: DTXSID60878121
• Nikkaji Number: J1.583.281I
• Wikidata: Q82860080
• ChEMBL ID: CHEMBL1437483
• Mol file: 7561-67-3.mol

Synonyms:2-(4-ethylphenyl)-1H-indene-1,3(2H)-dione;MLS001179541;CHEMBL1437483;DTXSID60878121;HMS2812F04;7561-67-3;SMR000476985;1H-Indene-1,3(2H)-dione, 2-(4-ethylphenyl)-

Chemical Property of 2-(4-ethylphenyl)-1H-indene-1,3(2H)-dione

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 250.099379685
• Heavy Atom Count: 19
• Complexity: 342

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O

Technology Process of 2-(4-ethylphenyl)-1H-indene-1,3(2H)-dione

There total 1 articles about 2-(4-ethylphenyl)-1H-indene-1,3(2H)-dione 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-benzofuran-1(3H)-one (87-41-2) + 4-ethylbenzylaldehyde (4748-78-1) → 2-<4-Ethyl-phenyl>-indan-1,3-dion (7561-67-3)

Guidance literature:

With sodium methylate;

Reference yield:

2-<4-Ethyl-phenyl>-indan-1,3-dion (7561-67-3) → C17H13BrO2

Guidance literature:

With bromine; In chloroform;

DOI:10.1080/00397911.2015.1127383

Reference yield:

2-<4-Ethyl-phenyl>-indan-1,3-dion (7561-67-3) → 10a-(4-ethylphenyl)benzo[b]indeno[1,2-e][1,4]thiazin-11(10aH)-one

Guidance literature:

Multi-step reaction with 2 steps

1: bromine / chloroform

2: ethanol / Reflux

With bromine; In ethanol; chloroform;

DOI:10.1080/00397911.2015.1127383

upstream raw materials:

2-benzofuran-1(3H)-one

4-ethylbenzylaldehyde