2-benzylidene-1H-indene-1,3(2H)-dione

Base Information

• Chemical Name: 2-benzylidene-1H-indene-1,3(2H)-dione
• CAS No.: 5381-33-9
• Molecular Formula: C16H10O2
• Molecular Weight: 234.254
• European Community (EC) Number: 661-536-4
• NSC Number: 41694
• DSSTox Substance ID: DTXSID30285409
• Nikkaji Number: J451.243J
• ChEMBL ID: CHEMBL27385
• Mol file: 5381-33-9.mol

Synonyms:2-benzylidene-1h-indene-1,3(2h)-dione;5381-33-9;2-benzylideneindene-1,3-dione;2-Benzylidene-1,3-indandione;2-(phenylmethylene)-1H-indene-1,3(2H)-dione;2-(phenylmethylidene)-2,3-dihydro-1H-indene-1,3-dione;NSC41694;CBMicro_005238;CHEMBL27385;SCHEMBL677432;2-Benzylidene-indan-1,3-dione;DTXSID30285409;HMS1787J01;SMSF0003470;2-benzylidene-2h-indene-1,3-dione;MFCD00156797;NSC-41694;STK720142;AKOS000270581;CB07632;BIM-0005361.P001;CS-0269766;1H-Indene-1,3(2H)-dione, 2-(phenylmethylene)-;11R-0228;Z44300960

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

Chemical Property:

• Vapor Pressure: 1.13E-07mmHg at 25°C
• Boiling Point: 432.2°Cat760mmHg
• Flash Point: 161.4°C
• Density: 1.306g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 234.068079557
• Heavy Atom Count: 18
• Complexity: 362

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

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

There total 34 articles about 2-benzylidene-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: 95.0%

1H-indene-1,3(2H)-dione (606-23-5) + benzaldehyde (100-52-7) → 2-benzylidene-indan-1,3-dione (5381-33-9)

Guidance literature:

calcined hydrotalcite; water; In dichloromethane; at 24.85 ℃; for 7h;

DOI:10.1016/j.jcat.2003.09.012

Reference yield: 90.0%

1H-indene-1,3(2H)-dione (606-23-5) + [(methylthio)methyl]-benzene (766-92-7) → 2-benzylidene-indan-1,3-dione (5381-33-9)

Guidance literature:

With o-tetrachloroquinone; at 100 ℃; for 8h; Inert atmosphere;

DOI:10.1021/ol702934k

Reference yield: 85.0%

1H-indene-1,3(2H)-dione (606-23-5) + N-methyl-α-phenylnitrone (3376-23-6) → 2-benzylidene-indan-1,3-dione (5381-33-9)

Guidance literature:

In dichloromethane; at 80 ℃; for 2h; Sealed tube;

DOI:10.1016/j.tet.2012.06.086

upstream raw materials:

piperidine

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

ethanol

benzaldehyde

Downstream raw materials:

2,2'-phenylmethylene-bis(5,5-dimethylcyclohexane-1,3-dione)

2,2''-benzylidene-bis-[1,2']biindenylidene-3,1',3'-trione

2-Methyl-3-ethoxycarbonyl-4-phenyl-5-oxo-4,5-dihydro-1H-indeno<1,2-b>pyridine

11-phenyl-diindeno[1,2-b;2',1'-e]pyridine-10,12-dione