5-Acetylindane

Base Information

• Chemical Name: 5-Acetylindane
• CAS No.: 4228-10-8
• Molecular Formula: C11H12O
• Molecular Weight: 160.216
• Hs Code.: 2914390090
• NSC Number: 62537,33137
• DSSTox Substance ID: DTXSID10962408
• Nikkaji Number: J80.771K
• Wikidata: Q82944086
• Mol file: 4228-10-8.mol

Synonyms:5-Acetylindane;4228-10-8;5-Acetylindan;1-(2,3-dihydro-1H-inden-5-yl)ethanone;1-(2,3-Dihydro-1H-inden-5-yl)ethan-1-one;MFCD00021246;Ethanone,3-dihydro-1H-inden-5-yl)-;NSC62537;1-(5-Indanyl)ethanone;1-indane-5-yl-ethanone;5-acetylindane, AldrichCPR;NCIOpen2_000205;SCHEMBL33121;DTXSID10962408;HCMWPTFPUCPKQM-UHFFFAOYSA-N;AMY41394;NSC33137;NSC-33137;NSC-62537;AKOS000346126;SY048885;1-(2,3-Dihydro-1H-inden-6-yl)ethanone;1-(2,3-dihydro-1H-inden-5-yl)-ethanone;1-(2,3-dihydro-1h-inden-6-yl) ethanone;CS-0147719;FT-0723129;EN300-10986;5W-0337;A936744;Z90665628

Chemical Property of 5-Acetylindane

Chemical Property:

• Vapor Pressure: 0.00196mmHg at 25°C
• Refractive Index: 1.559
• Boiling Point: 291.4 °C at 760 mmHg
• Flash Point: 123.5 °C
• PSA: 17.07000
• Density: 1.067 g/cm³
• LogP: 2.37790
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 160.088815002
• Heavy Atom Count: 12
• Complexity: 185

Purity/Quality:

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

5-Acetylindane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22
• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC2=C(CCC2)C=C1

Technology Process of 5-Acetylindane

There total 9 articles about 5-Acetylindane 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: 100.0%

INDANE (496-11-7) + acetic anhydride (108-24-7) → 1-indan-5-yl-ethanone (4228-10-8)

Guidance literature:

With aluminum (III) chloride; In 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran; at 0 - 20 ℃; for 15h;

Reference yield: 98.0%

INDANE (496-11-7) + acetyl chloride (75-36-5) → 1-indan-5-yl-ethanone (4228-10-8)

Guidance literature:

With aluminium trichloride; In benzene; at 20 ℃; for 4h;

DOI:10.1023/A:1022515613414

Reference yield: 68.0%

1-(2,3,5,6-tetrahydro-1H-5-indenyl)1-ethanone (225642-90-0) → 1-indan-5-yl-ethanone (4228-10-8)

Guidance literature:

With silica gel; column chromatography;

DOI:10.1021/jo9900580

upstream raw materials:

INDANE

acetic anhydride

acetyl chloride

acetic acid

Downstream raw materials:

(5-indanyl)acetonitrile

(2S,3R,4R,5S,6R)-2-(7-bromo-6-(4-methoxybenzyl)-2,3-dihydro-1H-inden-4-yl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

(2S,3R,4R,5S,6R)-2-(7-chloro-6-(4-methoxybenzyl)-2,3-dihydro-1H-inden-4-yl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

Refernces

• 1、 -. "Novel cyclic phospholipids used for treating HCV infection". Paragraph 0088; 0089. . Retrieved 2017/04/28.
• 2、 Barman, Sanmitra,You, Lei,Chen, Ran,Codrea, Vlad,Kago, Grace,Edupuganti, Ramakrishna,Robertus, Jon,Krug, Robert M.,Anslyn, Eric V.. "Exploring naphthyl-carbohydrazides as inhibitors of influenza A viruses". . p. 81 - 90. Retrieved 2014/01/06.