2,3-Dihydro-7-hydroxy-4-methoxy-3,3-dimethyl-1H-inden-1-one

Base Information

• Chemical Name: 2,3-Dihydro-7-hydroxy-4-methoxy-3,3-dimethyl-1H-inden-1-one
• CAS No.: 98910-62-4
• Molecular Formula: C₁₂H₁₄O₃
• Molecular Weight: 206.241
• DSSTox Substance ID: DTXSID501188408
• Mol file: 98910-62-4.mol

Synonyms:DTXSID501188408;2,3-Dihydro-7-hydroxy-4-methoxy-3,3-dimethyl-1H-inden-1-one;98910-62-4

Chemical Property of 2,3-Dihydro-7-hydroxy-4-methoxy-3,3-dimethyl-1H-inden-1-one

Chemical Property:

• XLogP3: 2.7
• 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:

Useful:

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

Technology Process of 2,3-Dihydro-7-hydroxy-4-methoxy-3,3-dimethyl-1H-inden-1-one

There total 2 articles about 2,3-Dihydro-7-hydroxy-4-methoxy-3,3-dimethyl-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: 52.0%

4'-methoxyphenyl 3-methylbut-2-enoate (84346-76-9) → 6-methoxy-2,2-dimethylchroman-4-one (13229-59-9) + 3,4-dihydro-6-methoxy-4,4-dimethyl-2H-1-benzopyran-2-one (29423-73-2) + 7-hydroxy-4-methoxy-3,3-dimethylindanone (98910-62-4) + 4-methoxy-phenol (150-76-5)

Guidance literature:

With methanesulfonic acid; at 70 ℃; for 1.5h;

DOI:10.1002/jhet.5570220229

Reference yield: 20.0%

4'-methoxyphenyl 3-methylbut-2-enoate (84346-76-9) → 3,4-dihydro-6-hydroxy-4,4-dimethyl-2H-1-benzopyran-2-one (29423-72-1) + 3,4-dihydro-6-methoxy-4,4-dimethyl-2H-1-benzopyran-2-one (29423-73-2) + 1-(2-hydroxy-5-methoxyphenyl)-3-methylbut-2-en-1-one (84346-78-1) + 7-hydroxy-4-methoxy-3,3-dimethylindanone (98910-62-4) + 4-methoxy-phenol (150-76-5) + hydroquinone (123-31-9,8027-02-9)

Guidance literature:

With aluminium trichloride; In nitromethane; at 70 ℃; for 2h; Product distribution; other temp., other time;

DOI:10.1002/jhet.5570220229

upstream raw materials:

4'-methoxyphenyl 3-methylbut-2-enoate