4-Chloro-1-indanone

Base Information

• Chemical Name: 4-Chloro-1-indanone
• CAS No.: 15115-59-0
• Molecular Formula: C9H7ClO
• Molecular Weight: 166.607
• Hs Code.: 2914700090
• European Community (EC) Number: 815-313-5
• DSSTox Substance ID: DTXSID40462582
• Nikkaji Number: J2.510.525G
• Wikidata: Q72452154
• Mol file: 15115-59-0.mol

Synonyms:15115-59-0;4-Chloro-1-indanone;4-chloro-2,3-dihydroinden-1-one;4-chloro-2,3-dihydro-1H-inden-1-one;4-chloroindan-1-one;4-CHLORO-INDAN-1-ONE;1H-INDEN-1-ONE, 4-CHLORO-2,3-DIHYDRO-;MFCD08544408;4-chloroindanone;4-chloroindane-1-one;SCHEMBL782694;DTXSID40462582;MYCZDIIPHIGLCH-UHFFFAOYSA-N;4-chloranyl-2,3-dihydroinden-1-one;AKOS000223830;AC-4562;CCG-321056;CS-W008929;FS-2932;PB25074;SY041548;4-Chloro-2 pound not3-dihydroinden-1-one;AM20030030;FT-0602098;EN300-51356;A26837;A809122;W-205718;F8881-7397;Z234895081

Chemical Property of 4-Chloro-1-indanone

Chemical Property:

• Appearance/Colour: White to yellow crystal or oil
• Vapor Pressure: 0.00274mmHg at 25°C
• Melting Point: 90-92℃
• Refractive Index: 1.6
• Boiling Point: 285.8 °C at 760 mmHg
• Flash Point: 128.3 °C
• PSA: 17.07000
• Density: 1.312 g/cm³
• LogP: 2.46890
• Storage Temp.: Keep in dark place,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:

98%,99%, ^*data from raw suppliers

4-Chloro-2,3-dihydro-1H-inden-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)C2=C1C(=CC=C2)Cl

Technology Process of 4-Chloro-1-indanone

There total 19 articles about 4-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: 95.0%

3-(2-chlorophenyl)propionyl chloride (52085-97-9) → 4-chloro-2,3-dihydro-1H-inden-1-one (15115-59-0)

Guidance literature:

With boron trifluoride; In acetonitrile; for 8h; Reflux;

Reference yield: 65.0%

carbon monoxide (201230-82-2) + 1-chloro-2-(trimethylsilylethynyl)benzene (105273-33-4) → 4-chloro-2,3-dihydro-1H-inden-1-one (15115-59-0)

Guidance literature:

With water; triethylamine; triphenylphosphine; chloro(1,5-cyclooctadiene)rhodium(I) dimer; In tetrahydrofuran; at 160 ℃; for 4h; under 51485.6 Torr;

DOI:10.1021/jo00072a020

Reference yield: 63.0%

4-amino-2,3-dihydro-1H-inden-1-one (51135-91-2) → 4-chloro-2,3-dihydro-1H-inden-1-one (15115-59-0)

Guidance literature:

With hydrogenchloride; copper(l) chloride; sodium nitrite; In water; at 0 - 20 ℃; for 2h;

DOI:10.1016/S0968-0896(02)00319-X

upstream raw materials:

3-(2-chlorophenyl)propionyl chloride

chloropropionic acid

chlorobenzene

3-(2-chlorophenyl)propanoic acid

Downstream raw materials:

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

7-chloro-1H-indene

4-(4'-tert-butylphenyl)indanone

4-chloroindane-1-amine

Refernces

• 1、 Gagnepain, Julien,Jeanmart, Stephane,Bonvalot, Damien,Jacob, Olivier,Lamberth, Clemens. "Synthesis of Conformationally Locked and C-Linked Analogues of Imidazole-Based Ketene Dithioacetal Fungicides". supporting information. p. 59 - 62. Retrieved 2019/01/04.
• 2、 Jasouri,Khalafy,Badali,Prager. "Synthesis of 9H-Indeno [1, 2-b] pyrazine and 11H-indeno [1, 2-b] quinoxaline derivatives in one-step reaction from 2-bromo-4-chloro-1-indanone". scheme or table. p. 105 - 107. Retrieved 2012/07/14.