5-Methoxy-2,2-dimethylindanone

Base Information

• Chemical Name: 5-Methoxy-2,2-dimethylindanone
• CAS No.: 124688-06-8
• Molecular Formula: C12H14O2
• Molecular Weight: 190.242
• DSSTox Substance ID: DTXSID701233560
• Nikkaji Number: J1.767.325D
• Mol file: 124688-06-8.mol

Synonyms:124688-06-8;5-methoxy-2,2-dimethyl-3H-inden-1-one;5-methoxy-2,2-dimethylindanone;2,3-DIHYDRO-2,2-DIMETHYL-5-METHOXY-1H-INDEN-1-ONE;SCHEMBL3958079;ZENPNFPJVPODJW-UHFFFAOYSA-N;DTXSID701233560;2,2-Dimethyl-5-methoxyindan-1-one;AKOS006308764;2,3-Dihydro-5-methoxy-2,2-dimethyl-1H-inden-1-one

Chemical Property of 5-Methoxy-2,2-dimethylindanone

Chemical Property:

• PSA: 0.00000
• LogP: 0.00000
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 190.099379685
• Heavy Atom Count: 14
• Complexity: 245

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(CC2=C(C1=O)C=CC(=C2)OC)C

Technology Process of 5-Methoxy-2,2-dimethylindanone

There total 1 articles about 5-Methoxy-2,2-dimethylindanone 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: 86.0%

5-methoxy-2,2-dimethyl-2,3-dihydro-1H-indene-1-ol (165072-42-4) → 5-methoxy-2,2-dimethyl-2,3-dihydro-1H-inden-1-one (124688-06-8) + 4-methoxy-2-(2-methyl-1-propenyl)benzencarbaldehyde (610312-60-2) + 4-methoxy-2-(2-methyl-2-propenyl)benzencarbaldehyde + 8,8-dimethyl-5-methoxybenzo[c]oxacyclohexan-2-one

Guidance literature:

With dipotassium peroxodisulfate; In various solvent(s); pH=10.0; Radiolysis;

DOI:10.1016/S0040-4039(03)01620-4

Reference yield: 95.0%

5-methoxy-2,2-dimethyl-2,3-dihydro-1H-inden-1-one (124688-06-8) + 2-(phenylethynyl)phenylacetylene (143192-60-3) → C28H24O2 (1259381-69-5)

Guidance literature:

2-(phenylethynyl)phenylacetylene; With lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h; Inert atmosphere;

5-methoxy-2,2-dimethyl-2,3-dihydro-1H-inden-1-one; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 1h; Inert atmosphere;

DOI:10.1021/ol102793a

Reference yield: 91.0%

1-ethynyl-2-[2-(4-methoxyphenyl)ethynyl]benzene + 5-methoxy-2,2-dimethyl-2,3-dihydro-1H-inden-1-one (124688-06-8) → C29H26O3 (1259381-71-9)

Guidance literature:

1-ethynyl-2-[2-(4-methoxyphenyl)ethynyl]benzene; With lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h; Inert atmosphere;

5-methoxy-2,2-dimethyl-2,3-dihydro-1H-inden-1-one; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 1h; Inert atmosphere;

DOI:10.1021/ol102793a

upstream raw materials:

5-methoxy-2,2-dimethyl-2,3-dihydro-1H-indene-1-ol

Downstream raw materials:

5-methoxy-2,2-dimethyl-2,3-dihydro-1H-indene-1-ol

C₂₉H₂₆O₃

C₂₈H₂₄O₂

C₂₈H₂₄O₂