5-Benzyloxy-6-methoxy-1-indanone

Base Information

• Chemical Name: 5-Benzyloxy-6-methoxy-1-indanone
• CAS No.: 127399-72-8
• Molecular Formula: C17H16 O3
• Molecular Weight: 268.312
• DSSTox Substance ID: DTXSID70563758
• Wikidata: Q82448236
• Mol file: 127399-72-8.mol

Synonyms:5-BENZYLOXY-6-METHOXY-1-INDANONE;127399-72-8;6-methoxy-5-phenylmethoxy-2,3-dihydroinden-1-one;5-(Benzyloxy)-6-methoxy-2,3-dihydro-1H-inden-1-one;1H-Inden-1-one, 2,3-dihydro-6-methoxy-5-(phenylmethoxy)-;SCHEMBL3970008;DTXSID70563758;OGPAHZWSIDYPSO-UHFFFAOYSA-N;5-Benzyloxy-6-methoxy-indan-1-one;AKOS027446877

Chemical Property of 5-Benzyloxy-6-methoxy-1-indanone

Chemical Property:

• PSA: 35.53000
• LogP: 3.40310
• Solubility.: Acetone, Chloroform, Dichloromethane, Ethyl Acetate, Methanol
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 268.109944368
• Heavy Atom Count: 20
• Complexity: 335

Purity/Quality:

97% ^*data from raw suppliers

5-Benzyloxy-6-methoxy-1-indanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2CCC(=O)C2=C1)OCC3=CC=CC=C3

Technology Process of 5-Benzyloxy-6-methoxy-1-indanone

There total 4 articles about 5-Benzyloxy-6-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: 94.0%

5-hydroxy-6-methoxy-2,3-dihydro-1H-inden-1-one (127399-78-4) + benzyl chloride (100-44-7) → 5-(benzyloxy)-6-methoxy-1-indanone (127399-72-8)

Guidance literature:

With potassium carbonate; In ethanol; for 5h; Heating;

DOI:10.1021/jm00169a031

Reference yield: 91.0%

5-hydroxy-6-methoxy-2,3-dihydro-1H-inden-1-one (127399-78-4) + benzyl bromide (100-39-0) → 5-(benzyloxy)-6-methoxy-1-indanone (127399-72-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 72h;

DOI:10.1002/cmdc.201400017

Reference yield:

dihydroisoferulic acid (1135-15-5) → 5-(benzyloxy)-6-methoxy-1-indanone (127399-72-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 30 percent / polyphosphoric acid / 0.05 h / 70 °C

2: 94 percent / K₂CO₃ / ethanol / 5 h / Heating

With PPA; potassium carbonate; In ethanol;

DOI:10.1021/jm00169a031

upstream raw materials:

5-hydroxy-6-methoxy-2,3-dihydro-1H-inden-1-one

benzyl chloride

benzyl bromide

5,6-dimethoxy-1-indanone

Downstream raw materials:

5-(benzyloxy)-2-(4-bromobenzoyl)-6-methoxyindan-1-one

6-benzyloxy-7-methoxy-3,4-dihydro-2H-isoquinolin-1-one

methyl 2-((7-methoxy-1-oxo-6-(sulfamoyloxy)-3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoate

2-((3-chlorophenyl)sulfonyl)-7-methoxy-6-(sulfamoyloxy)-3,4-dihydroisoquinolin-1(2H)-one

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