5-Methyl-1-indanone

Base Information

• Chemical Name: 5-Methyl-1-indanone
• CAS No.: 4593-38-8
• Molecular Formula: C10H10O
• Molecular Weight: 146.189
• Hs Code.: 2914399090
• European Community (EC) Number: 624-455-5
• UNII: XS87EE9OPI
• DSSTox Substance ID: DTXSID70435941
• Nikkaji Number: J558.518J
• Wikidata: Q72491752
• ChEMBL ID: CHEMBL1904798
• Mol file: 4593-38-8.mol

Synonyms:5-METHYL-1-INDANONE;4593-38-8;5-methyl-2,3-dihydro-1H-inden-1-one;5-Methylindan-1-one;5-methyl-2,3-dihydroinden-1-one;1H-Inden-1-one, 2,3-dihydro-5-methyl-;1-Indanone, 5-methyl-;MFCD00032996;XS87EE9OPI;5-methy1-2,3-dihydroinden-1-one;2,3-dihydro-5-methyl-1h-inden-1-one;5-methlyindanone;5-methyl-indan-1-one;UNII-XS87EE9OPI;SCHEMBL423287;5-Methyl-1-indanone, 97%;CHEMBL1904798;DTXSID70435941;KBHCTNGQJOEDDC-UHFFFAOYSA-N;BCP09170;AM1011;AKOS000204947;CS-W004332;NCGC00186302-01;AC-23414;SY107054;TS-01901;FT-0657694;EN300-51353;AB01005609-01;A826933;Z318770612

Chemical Property of 5-Methyl-1-indanone

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.011mmHg at 25°C
• Melting Point: 69-73 °C
• Refractive Index: 1.575
• Boiling Point: 262.419 °C at 760 mmHg
• Flash Point: 108.388 °C
• PSA: 17.07000
• Density: 1.113 g/cm³
• LogP: 2.12390
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 146.073164938
• Heavy Atom Count: 11
• Complexity: 174

Purity/Quality:

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

5-Methyl-1-indanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)C(=O)CC2

Technology Process of 5-Methyl-1-indanone

There total 5 articles about 5-Methyl-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: 76.0%

4'-methyl-3-chloropropiophenone (22422-21-5) → 5-methylindan-1-one (4593-38-8) + Phenyl vinyl ketone (768-03-6,26742-84-7)

Guidance literature:

sulfuric acid; In neat (no solvent); at 90 ℃; for 1h;

Reference yield: 73.0%

5,5-ethylenedithio-7a-methyl-2,3,5,6,7,7a-hexahydro-1H-inden-1-one (33333-00-5) → 4-methylindanone (24644-78-8) + 5-methylindan-1-one (4593-38-8) + inden-1-one (83-33-0)

Guidance literature:

at 600 ℃; for 0.666667h; under 0.03 Torr; Yields of byproduct given;

DOI:10.1071/CH9842295

Reference yield: 46.0%

3-(3-methylphenyl)propanoic acid (3751-48-2) → 5-methylindan-1-one (4593-38-8) + 7-methyl-1-indanone (39627-61-7)

Guidance literature:

With trifluorormethanesulfonic acid; In dichloromethane; at 80 ℃; for 1h; High pressure; Inert atmosphere; Green chemistry;

DOI:10.3390/molecules19055599

upstream raw materials:

3-(3-methylphenyl)propanoic acid

4'-methyl-3-chloropropiophenone

3-(3-methylphenyl)propionyl chloride

5,5-ethylenedithio-7a-methyl-2,3,5,6,7,7a-hexahydro-1H-inden-1-one

Downstream raw materials:

1,2,4-benzene tricarboxylic acid

5-methyl-1H-isoindole-1,3-(2H)-dione

Refernces

• 1、 -. "SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS". Page/Page column 21. . Retrieved 2008/12/04.
• 2、 Musso, David L.,Cochran, Felicia R.,Kelley, James L.,McLean, Ed W.,Selph, Jeffrey L.,Rigdon, Greg C.,Orr, G. Faye,Davis, Ronda G.,Cooper, Barrett R.,Styles, Virgil L.,Thompson, James B.,Hall, William R.. "Indanylidenes. 1. Design and synthesis of (E)-2-(4,6-difluoro-1-indanylidene)acetamide, a potent, centrally acting muscle relaxant with antiinflammatory and analgesic activity". . p. 399 - 408. Retrieved 2007/10/03.