(2Z)-2-Benzylideneindan-1-one

Base Information

• Chemical Name: (2Z)-2-Benzylideneindan-1-one
• CAS No.: 17598-66-2
• Molecular Formula: C16H12O
• Molecular Weight: 220.271
• DSSTox Substance ID: DTXSID901225678
• Nikkaji Number: J876.246E
• Mol file: 17598-66-2.mol

Synonyms:(2Z)-2-Benzylideneindan-1-one;(2Z)-2-benzylidene-3H-inden-1-one;SCHEMBL3700238;DTXSID901225678;(2Z)-2,3-Dihydro-2-(phenylmethylene)-1H-inden-1-one;17598-66-2

Chemical Property of (2Z)-2-Benzylideneindan-1-one

Chemical Property:

• Boiling Point: 175 - 180 °C (0.01 mmHg)
• PSA: 17.07000
• Density: 1.204±0.06 g/cm3(Predicted)
• LogP: 3.50900
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 220.088815002
• Heavy Atom Count: 17
• Complexity: 322

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=CC=C2C(=O)C1=CC3=CC=CC=C3
• Isomeric SMILES: C\1C2=CC=CC=C2C(=O)/C1=C\C3=CC=CC=C3

Technology Process of (2Z)-2-Benzylideneindan-1-one

There total 18 articles about (2Z)-2-Benzylideneindan-1-one 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: 98.0%

benzaldehyde (100-52-7) + inden-1-one (83-33-0) → 2-benzylidine-1-indanone (5706-12-7,17434-21-8,17598-66-2)

Guidance literature:

With molybdenum(V) chloride; In neat (no solvent); for 0.05h; Microwave irradiation; Green chemistry;

DOI:10.1002/jccs.201900081

Reference yield: 98.0%

inden-1-one (83-33-0) + benzyl alcohol (100-51-6,185532-71-2) → 2-benzylidine-1-indanone (5706-12-7,17434-21-8,17598-66-2)

Guidance literature:

With titanium nitride; potassium hydroxide; In toluene; at 100 ℃; for 10h; Sealed tube; Irradiation;

DOI:10.1021/acscatal.9b04921

Reference yield: 84.4%

inden-1-one (83-33-0) + benzyl alcohol (100-51-6,185532-71-2) → 2-benzyl-1-indanone (16307-30-5) + 2-benzylidine-1-indanone (5706-12-7,17434-21-8,17598-66-2)

Guidance literature:

With potassium hydroxide; In toluene; at 100 ℃; for 10h; Sealed tube; Irradiation;

DOI:10.1021/acscatal.9b04921

upstream raw materials:

α-benzylcinnamic acid

benzaldehyde

inden-1-one

C₁₆H₁₁BrO

Downstream raw materials:

2-methyl-4-phenyl-5H-indeno[1,2-b]pyridine-3-carbonitrile

2-benzyl-1-indanone

2-Brom-2-<α-brom-benzyl>-indanon-(1)

5-Phenyl-6,11-dihydro-5H-4b,11,12-triaza-indeno[1,2-b]fluorene