3-(3,4-Dichlorophenyl)indan-1-one

Base Information

• Chemical Name: 3-(3,4-Dichlorophenyl)indan-1-one
• CAS No.: 80272-27-1
• Molecular Formula: C₁₅H₁₀Cl₂O
• Molecular Weight: 277.15
• European Community (EC) Number: 279-437-6
• DSSTox Substance ID: DTXSID501001131
• Nikkaji Number: J320.253D
• Mol file: 80272-27-1.mol

Synonyms:3-(3,4-Dichlorophenyl)indan-1-one;80272-27-1;3-(3,4-dichlorophenyl)-2,3-dihydroinden-1-one;EINECS 279-437-6;3-(3,4-dichlorophenyl)-1-indanone;3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-one;SCHEMBL5709329;KNKXPMHZNDQQHO-UHFFFAOYSA-N;DTXSID501001131;AKOS005216584;AM20041189;3-(3,4-dichlorophenyl)-2,3-dihydro-inden-1-one

Chemical Property of 3-(3,4-Dichlorophenyl)indan-1-one

Chemical Property:

• Vapor Pressure: 3.97E-06mmHg at 25°C
• Melting Point: 106 - 108 °C
• Boiling Point: 384.9°Cat760mmHg
• Flash Point: 162.7°C
• PSA: 17.07000
• Density: 1.364g/cm³
• LogP: 4.71170
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 276.0108703
• Heavy Atom Count: 18
• Complexity: 331

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C2=CC=CC=C2C1=O)C3=CC(=C(C=C3)Cl)Cl

Technology Process of 3-(3,4-Dichlorophenyl)indan-1-one

There total 44 articles about 3-(3,4-Dichlorophenyl)indan-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: 95.0%

β-Phenylacrylic acid 4-nitroanilide (134430-90-3,74948-33-7) + 1,2-dichloro-benzene (95-50-1) → 3-(3',4'-dichlorophenyl)-indan-1-one (85662-98-2,80272-27-1)

Guidance literature:

With trifluorormethanesulfonic acid; at 50 ℃; for 16h; Inert atmosphere;

DOI:10.1021/jo300922p

Reference yield: 92.0%

1-((3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl)oxy)-2,2,6,6-tetramethylpiperidine → 3-(3',4'-dichlorophenyl)-indan-1-one (85662-98-2,80272-27-1)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 ℃;

DOI:10.1039/d0ob01773f

Reference yield: 92.0%

(E)-3-phenylacrylic acid (140-10-3) + 1,2-dichloro-benzene (95-50-1) → 3-(3',4'-dichlorophenyl)-indan-1-one (85662-98-2,80272-27-1)

Guidance literature:

trifluorormethanesulfonic acid; at 25 ℃; for 6h;

DOI:10.1021/jo030327t

upstream raw materials:

3-(3',4'-dichlorophenyl)-3-phenylpropanoic acid

3-(3,4-dichlorophenyl)-1H-inden-1-one

(E)-3-phenylacrylic acid

1,2-dichloro-benzene

Downstream raw materials:

cis-3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-ol

butyric acid (1R,3R)-3-(3,4-dichloro-phenyl)-indan-1-yl ester

indatraline

LNK 131

Refernces

• 1、 Schulz, G?ran,Kirschning, Andreas. "Metal free decarboxylative aminoxylation of carboxylic acids using a biphasic solvent system". supporting information. p. 273 - 278. Retrieved 2021/01/14.
• 2、 Parveen, Naziya,Sekar, Govindasamy. "Palladium Nanoparticles-Catalyzed Synthesis of Indanone Derivatives via Intramolecular Reductive Heck Reaction". . p. 4581 - 4595. Retrieved 2019/09/03.