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

Base Information

• Chemical Name: 5-Hydroxy-6-methoxy-3,3-dimethyl-2,3-dihydro-1H-inden-1-one
• CAS No.: 83923-91-5
• Molecular Formula: C12H14O3
• Molecular Weight: 206.241
• DSSTox Substance ID: DTXSID10541853
• Wikidata: Q82418306

Synonyms:83923-91-5;SCHEMBL4233485;DTXSID10541853;HTFMEKCSJRODCZ-UHFFFAOYSA-N;5-Hydroxy-6-methoxy-3,3-dimethyl-2,3-dihydro-1H-inden-1-one;5-hydroxy-6-methoxy-3,3-dimethyl-indan-1-one;6-methoxy-3,3-dimethyl-5-hydroxy-indan-1-one;5-Hydroxy-6-methoxy-3,3-dimethyl-2,3-dihydroinden-1-one

Chemical Property of 5-Hydroxy-6-methoxy-3,3-dimethyl-2,3-dihydro-1H-inden-1-one

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 206.094294304
• Heavy Atom Count: 15
• Complexity: 272

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(=O)C2=CC(=C(C=C21)O)OC)C

Technology Process of 5-Hydroxy-6-methoxy-3,3-dimethyl-2,3-dihydro-1H-inden-1-one

There total 1 articles about 5-Hydroxy-6-methoxy-3,3-dimethyl-2,3-dihydro-1H-inden-1-one 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: 6.0%

2'-methoxyphenyl 3-methylbut-2-enoate (98910-54-4) → 2-methoxyphenyl mesylate (98910-57-7) + 2-methoxy-4(3-methylbut-2-enoyl)phenol (98910-59-9) + 6-hydroxy-5-methoxy-3,3-dimethylindanone (98910-58-8) + 5-hydroxy-6-methoxy-3,3-dimethylindan-1-one (83923-91-5) + 3,4-dihydro-8-methoxy-4,4-dimethyl-2H-1-benzopyran-2-one (98910-56-6)

Guidance literature:

With methanesulfonic acid; at 70 ℃; for 1.5h; Product distribution; other time, other temp.;

DOI:10.1002/jhet.5570220229

Reference yield: 100.0%

5-hydroxy-6-methoxy-3,3-dimethylindan-1-one (83923-91-5) → 6-methoxy-3,3-dimethylindan-5-ol (28012-14-8)

Guidance literature:

Reference yield: 85.0%

5-hydroxy-6-methoxy-3,3-dimethylindan-1-one (83923-91-5) + methyl iodide (74-88-4) → 2,3-dihydro-5,6-dimethoxy-3,3-dimethyl-1H-inden-1-one (4136-26-9)

Guidance literature:

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

upstream raw materials:

2'-methoxyphenyl 3-methylbut-2-enoate

Downstream raw materials:

2,3-dihydro-5,6-dimethoxy-3,3-dimethyl-1H-inden-1-one

6-methoxy-3,3-dimethylindan-5-ol

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