5-Methyl-7-hydroxy-1-indanone

Base Information

• Chemical Name: 5-Methyl-7-hydroxy-1-indanone
• CAS No.: 68293-32-3
• Molecular Formula: C10H10O2
• Molecular Weight: 162.188
• DSSTox Substance ID: DTXSID40456502
• Nikkaji Number: J626.617G
• Wikidata: Q82279036
• Mol file: 68293-32-3.mol

Synonyms:5-METHYL-7-HYDROXY-1-INDANONE;68293-32-3;7-HYDROXY-5-METHYL-1-INDANONE;7-hydroxy-5-methyl-2,3-dihydroinden-1-one;7-hydroxy-5-methyl-2,3-dihydro-1H-inden-1-one;5-Methyl-7-hydroxyindan-1-one;SCHEMBL17397694;DTXSID40456502;7-Hydroxy-5-methyl-indan-1-one;AM1138;AKOS022636387;AC-23411;FT-0762976;1H-Inden-1-one, 2,3-dihydro-7-hydroxy-5-methyl-

Chemical Property of 5-Methyl-7-hydroxy-1-indanone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.615
• Boiling Point: 336.464 °C at 760 mmHg
• Flash Point: 143.11 °C
• PSA: 37.30000
• Density: 1.25 g/cm³
• LogP: 1.82950
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 162.068079557
• Heavy Atom Count: 12
• Complexity: 200

Purity/Quality:

98% Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Methyl-7-hydroxy-1-indanone

There total 22 articles about 5-Methyl-7-hydroxy-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: 96.0%

4-bromo-7-hydroxy-5-methylindan-1-one (173381-70-9) → 7-hydroxy-5-methyl-2,3-dihydro-1H-inden-1-one (68293-32-3)

Guidance literature:

With hydrogen; sodium acetate; palladium on activated charcoal; In acetic acid; for 2h;

Reference yield: 59.0%

2-(2-hydroxy-4,6-dimethylphenyl)-2-oxoethyl benzoate (1265683-79-1) → 4,6-dimethylbenzofuran-3(2H)-one (20895-44-7) + 7-hydroxy-5-methyl-2,3-dihydro-1H-inden-1-one (68293-32-3) + 4,6-Dimethyl-2(3H)-benzofuranone (33901-25-6)

Guidance literature:

In benzene; Irradiation;

DOI:10.1021/ol102887f

Reference yield: 55.0%

3-methylphenyl β-chloropropionate (158304-80-4) → 7-hydroxy-5-methyl-2,3-dihydro-1H-inden-1-one (68293-32-3)

Guidance literature:

With aluminium trichloride; at 80 - 180 ℃; for 5h;

DOI:10.1021/ja00101a013

upstream raw materials:

3-methylphenyl β-chloropropionate

2-bromo-propionic acid m-tolyl ester

4-bromo-7-hydroxy-5-methylindan-1-one

4-bromo-3-methylphenol

Downstream raw materials:

6-methyl-4-indanol

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