4-Methoxy-1-indanone

Base Information

• Chemical Name: 4-Methoxy-1-indanone
• CAS No.: 13336-31-7
• Molecular Formula: C10H10O2
• Molecular Weight: 162.188
• Hs Code.: 2914509090
• European Community (EC) Number: 853-691-3
• ChEMBL ID: CHEMBL4572298
• DSSTox Substance ID: DTXSID00404125
• Nikkaji Number: J523.065I
• Wikidata: Q72489995
• Mol file: 13336-31-7.mol

Synonyms:4-Methoxy-1-indanone;13336-31-7;4-Methoxy-2,3-dihydro-1H-inden-1-one;4-methoxy-2,3-dihydroinden-1-one;4-Methoxyindan-1-one;1H-Inden-1-one, 2,3-dihydro-4-methoxy-;4-Methoxy-indan-1-one;MFCD00077816;2,3-Dihydro-4-methoxyinden-1-one;4-methyoxy-indanone;4-METHOXY-INDANONE;SCHEMBL165220;4-Methoxy-1-indanone, 99%;CHEMBL4572298;DTXSID00404125;BTYSYELHQDGJAB-UHFFFAOYSA-N;AM723;CS-D1014;AKOS000223879;AC-3139;FS-3435;SY004006;4-(methyloxy)-2,3-dihydro-1H-inden-1-one;FT-0618869;EN300-107450;A806604;J-006359;Z334686332

Chemical Property of 4-Methoxy-1-indanone

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 105-107 °C (dec.)(lit.)
• Refractive Index: 1.564
• Boiling Point: 303.044 °C at 760 mmHg
• Flash Point: 145.373 °C
• PSA: 26.30000
• Density: 1.167 g/cm³
• LogP: 1.82410
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 162.068079557
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

99%, ^*data from raw suppliers

4-Methoxy-1-indanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC2=C1CCC2=O
• Uses: 4-Methoxy-1-indanone is suitable for use in the comparative study of the effect of different substituents on various benzo-fused ketones on the reaction kinetics by studying the biocatalysed oxidation reaction.It may be used in the following studies:Synthesis of isomeric mixture of oximes.As a starting material in the synthesis of benzo-fused indolizidine and 4-methoxy-1-indanyl compound.Synthesis of 4-methoxy-5-nitro-1-indanone by nitration reaction.As one of the reactant in the synthesis of E-2-chloro-8-methyl-3-[(4′-methoxy-1′-indanoyl)-2′-methyliden]-quinoline (IQ), a quinoline derivative.

Technology Process of 4-Methoxy-1-indanone

There total 16 articles about 4-Methoxy-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: 100.0%

4-hydroxy-2,3-dihydroindan-1-one (40731-98-4) + methyl iodide (74-88-4) → 4-methoxylindanone (13336-31-7)

Guidance literature:

With potassium carbonate; In acetone; for 8h; Heating;

DOI:10.1248/cpb.42.1756

Reference yield: 97.0%

methanol (67-56-1) + 4-hydroxy-2,3-dihydroindan-1-one (40731-98-4) → 4-methoxylindanone (13336-31-7)

Guidance literature:

With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 0 - 20 ℃; for 4h; Inert atmosphere;

Reference yield: 97.0%

4-hydroxy-2,3-dihydroindan-1-one (40731-98-4) + dimethyl sulfate (77-78-1) → 4-methoxylindanone (13336-31-7)

Guidance literature:

With sodium hydroxide; benzyltrimethylammonium chloride; In dichloromethane; for 2h; Ambient temperature;

DOI:10.1021/jm00382a024

upstream raw materials:

4-hydroxy-2,3-dihydroindan-1-one

methyl iodide

2-methoxy-benzenepropanoic acid

C₆H₄(CH₂CH₂C(O)O)

Downstream raw materials:

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

4-methoxy-2,2-dimethylindan-1-one

(+/-)-2-fluoro-4-methoxy-2,3-dihydro-1H-inden-1-one

4-hydroxy-2,3-dihydroindan-1-one

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