6-Benzyloxy-5-methoxy-1-indanone

Base Information

• Chemical Name: 6-Benzyloxy-5-methoxy-1-indanone
• CAS No.: 3199-70-0
• Molecular Formula: C17H16 O3
• Molecular Weight: 268.312
• Hs Code.: 2914509090
• NSC Number: 80581
• DSSTox Substance ID: DTXSID60292161
• Wikidata: Q82030360
• Mol file: 3199-70-0.mol

Synonyms:6-BENZYLOXY-5-METHOXY-1-INDANONE;3199-70-0;5-methoxy-6-phenylmethoxy-2,3-dihydroinden-1-one;NSC80581;6-(benzyloxy)-5-methoxy-2,3-dihydro-1h-inden-1-one;SCHEMBL4814842;DTXSID60292161;NSC-80581;AKOS027447753;FT-0662896

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

Chemical Property:

• Vapor Pressure: 3.46E-08mmHg at 25°C
• Melting Point: 130-131 °C
• Boiling Point: 447.1°C at 760 mmHg
• Flash Point: 216.1°C
• PSA: 35.53000
• Density: 1.199g/cm³
• 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:

99% ^*data from raw suppliers

6-Benzyloxy-5-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=C2C(=C1)CCC2=O)OCC3=CC=CC=C3

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

There total 6 articles about 6-Benzyloxy-5-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: 91.0%

6-hydroxy-5-methoxyindan-1-one (90843-62-2) + benzyl bromide (100-39-0) → 6-(benzyloxy)-5-methoxy-1-indanone (3199-70-0)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2007.05.027

Reference yield:

5,6-dihydroxy-indan-1-one (124702-80-3) → 6-(benzyloxy)-5-methoxy-1-indanone (3199-70-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 68 percent / Li₂CO₃ / dimethylformamide

2: 91 percent / K₂CO₃ / dimethylformamide

With lithium carbonate; potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2007.05.027

Reference yield:

5,6-dimethoxy-1-indanone (2107-69-9) → 6-(benzyloxy)-5-methoxy-1-indanone (3199-70-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 98 percent / BBr₃ / CH₂Cl₂

2: 68 percent / Li₂CO₃ / dimethylformamide

3: 91 percent / K₂CO₃ / dimethylformamide

With boron tribromide; lithium carbonate; potassium carbonate; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2007.05.027

upstream raw materials:

6-hydroxy-5-methoxyindan-1-one

benzyl chloride

benzyl bromide

5,6-dihydroxy-indan-1-one

Downstream raw materials:

6-(benzyloxy)-5-methoxy-1-methyleneindan

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

4-Benzyloxy-2-methoxycarbonyl-5-methoxy-phenylessigsaeure-methylester

5-(benzyloxy)-2-(carboxymethyl)-4-methoxybenzoic acid

Refernces

• 1、 -. "FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS". Page 209. . Retrieved 2010/02/08.