5-Chloro-1-indanone

Base Information

• Chemical Name: 5-Chloro-1-indanone
• CAS No.: 42348-86-7
• Molecular Formula: C9H7ClO
• Molecular Weight: 166.607
• Hs Code.: 29339900
• DSSTox Substance ID: DTXSID1074624
• Nikkaji Number: J2.272.074K
• Wikidata: Q72452152
• Mol file: 42348-86-7.mol

Synonyms:5-Chloro-1-indanone;42348-86-7;5-chloro-2,3-dihydroinden-1-one;5-Chloro-2,3-dihydro-1H-inden-1-one;5-Chloro-indan-1-one;5-chloroindanone;5-chloroindan-1-one;1H-Inden-1-one, 5-chloro-2,3-dihydro-;MFCD00041456;5-chloroindone;1-Indanone, 5-chloro-;SCHEMBL28603;5-Chloro-1-indanone, 99%;DTXSID1074624;HMS1667O06;CS-D0685;AKOS000204994;AB01874;FS-1019;AC-10213;BP-13249;SY004428;A6922;AM20040448;C1644;FT-0620209;EN300-67361;F11243;J-517292;Z318770634

Chemical Property of 5-Chloro-1-indanone

Chemical Property:

• Appearance/Colour: White crystal
• Vapor Pressure: 0.00233mmHg at 25°C
• Melting Point: 94-98 °C(lit.)
• Refractive Index: 1.6
• Boiling Point: 288.5 °C at 760 mmHg
• Flash Point: 129.4 °C
• PSA: 17.07000
• Density: 1.312 g/cm³
• LogP: 2.46890
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly)
• Water Solubility.: insoluble
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 166.0185425
• Heavy Atom Count: 11
• Complexity: 178

Purity/Quality:

99% ^*data from raw suppliers

5-Chloro-1-Indanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CC(=O)C2=C1C=C(C=C2)Cl
• Uses: 5-Chloro-1-indanone is the important intermediate of du pont company's new varieties of pesticides indoxacarb (popular name: indoxacarb), is also a kind of important medicine intermediate simultaneously. 5-Chloro-1-indanone is a 5-halo-1-indanone. It participates in the Irie′s synthesis of substituted pyridines. 5-Chloro-1-indanone has a stable triclinic crystal structure and has intermolecular forces of C-H...O, C-H...Π, CO...Cl and Π...Π types. 5-Chloro-1-indanone may be used as starting reagent for the preparation of 5-chloro-2-methoxycarbonyl-1-indanone. It may be used for the preparation of important biomedical compounds such as anticonvulsants, anticholinergics and diarylsulfonylureas, having potential activity against solid tumors. 5-Chloro-1-indanone may be used as starting reagent for the preparation of 5-chloro-2-methoxycarbonyl-1-indanone. It may also be used for the preparation of important biomedical compounds such as anticonvulsants, anticholinergics and diarylsulfonylureas, having potential activity against solid tumors. It participates in the Irie?s synthesis of substituted pyridines. 5-Chloro-1-indanone may be used as starting reagent for the preparation of 5-chloro-2-methoxycarbonyl-1-indanone. It may be used for the preparation of important biomedical compounds such as anticonvulsants, anticholinergics and diarylsulfonylureas, having potential activity against solid tumors.

Technology Process of 5-Chloro-1-indanone

There total 19 articles about 5-Chloro-1-indanone 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: 95.1%

p-chlorophenyl vinyl ketone (7448-87-5) → 5-chloro-1-indanone (42348-86-7)

Guidance literature:

With hydrogenchloride; In toluene; at -5 - 10 ℃; for 4h; under 1500.15 - 1875.19 Torr; Temperature; Solvent;

Reference yield: 93.1%

chlorobenzene (108-90-7) + 2-chloropropionyl chloride (625-36-5) → 5-chloro-1-indanone (42348-86-7)

Guidance literature:

With D₇₂ macroporous strong acid resin; at 30 ℃; for 5h; Temperature; Inert atmosphere;

Reference yield: 92.6%

3-(3-chlorophenyl)propionyl chloride (40478-50-0) → 5-chloro-1-indanone (42348-86-7)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 0 - 10 ℃; for 3h;

upstream raw materials:

3-chlorohydrocinnamic acid

3,4'-Dichloropropiophenone

3-(3-chlorophenyl)propionyl chloride

chlorobenzene

Downstream raw materials:

5-chloro-2,3-dihydro-1H-inden-1-ol

methyl 5-chloro-1-oxo-2,3-dihydro-1H-indene-2-carboxylate

5-chloro-1-oxo-N-phenyl-2,3-dihydro-1H-indene-2-carboxamide

(2S)-5-chloro-2-hydroxy-1-oxo-N-phenyl-2,3-dihydro-1H-indene-2-carboxamide

Refernces

• 1、 -. "Preparation method for synthesizing 5-chloro-1-indanone through one-step method". Sheet 0012-0014. . Retrieved 2021/10/27.
• 2、 -. "Synthesis method of 5-chloro-1-indanone". Paragraph 0025-0044. . Retrieved 2021/07/10.