7-Chloro-1-indanone

Base Information

• Chemical Name: 7-Chloro-1-indanone
• CAS No.: 34911-25-6
• Molecular Formula: C9H7ClO
• Molecular Weight: 166.60
• Hs Code.: 2914700090
• European Community (EC) Number: 676-096-9
• DSSTox Substance ID: DTXSID90458995
• Nikkaji Number: J1.989.919E
• Wikidata: Q72452165
• Mol file: 34911-25-6.mol

Synonyms:7-CHLORO-1-INDANONE;34911-25-6;7-chloro-2,3-dihydroinden-1-one;7-chloro-2,3-dihydro-1h-inden-1-one;7-chloro-indan-1-one;1H-Inden-1-one, 7-chloro-2,3-dihydro-;MFCD06796576;7-Chloroindan-1-one;SCHEMBL568118;DTXSID90458995;YNFZQNGHYQYLCF-UHFFFAOYSA-N;7-Chloro-1-indanone, AldrichCPR;AMY27997;BCP24379;CS-B0435;7-chloranyl-2,3-dihydroinden-1-one;AKOS006345970;FS-2248;5-Phenyl-2-(pyridin-3-yl)pentanenitrile;SY041547;FT-0646144;EN300-94564;A13380;A813214

Chemical Property of 7-Chloro-1-indanone

Chemical Property:

• Vapor Pressure: 0.00237mmHg at 25°C
• Melting Point: 98 °C
• Refractive Index: 1.6
• Boiling Point: 288.2 °C at 760 mmHg
• Flash Point: 129.3 °C
• PSA: 17.07000
• Density: 1.312 g/cm³
• LogP: 2.46890
• Storage Temp.: Sealed in dry,Room Temperature
• 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:

97% ^*data from raw suppliers

7-Chloro-1-indanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)C2=C1C=CC=C2Cl
• Uses: 7-Chloro-1-indanone is a reagent used to synthesize tetracyclic quinoline and quinoxaline carboxamides which are used as therapeutic topoisomerase inhibitors.

Technology Process of 7-Chloro-1-indanone

There total 23 articles about 7-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: 86.0%

7-amino-2,3-dihydro-1H-inden-1-one (628732-03-6) → 7-chloro-2,3-dihydro-1H-inden-1-one (34911-25-6)

Guidance literature:

7-amino-2,3-dihydro-1H-inden-1-one; With hydrogenchloride; sodium nitrite; In water; at 0 ℃; for 0.25h; Inert atmosphere;

With copper(l) chloride; In water; at 0 ℃; for 1h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.5b00393

Reference yield: 44.0%

C17H15ClO6 → dimethyl 3,4-furandicarboxylate (4282-33-1) + 7-chloro-2,3-dihydro-1H-inden-1-one (34911-25-6) + 1-Chloro-bicyclo[3.2.2]nona-3,6,8-trien-2-one

Guidance literature:

at 180 - 190 ℃; for 1.5h; under 50 Torr;

DOI:10.1246/bcsj.61.2393

Reference yield: 17.0%

C17H15ClO6 (112518-97-5,118917-14-9) → dimethyl 3,4-furandicarboxylate (4282-33-1) + 7-chloro-2,3-dihydro-1H-inden-1-one (34911-25-6) + 1-Chloro-bicyclo[3.2.2]nona-3,6,8-trien-2-one (112518-92-0)

Guidance literature:

at 130 ℃; for 24h;

DOI:10.1246/cl.1987.1557

upstream raw materials:

4-amino-7-chloro-indan-1-one

C₁₇H₁₅ClO₆

1-(2-chlorophenyl)-2-propen-1-one

sulfuric acid