1H-inden-1-one, 2,3-dihydro-4,6-dimethyl-

Base Information

• Chemical Name: 1H-inden-1-one, 2,3-dihydro-4,6-dimethyl-
• CAS No.: 1685-81-0
• Molecular Formula: C11H12O
• Molecular Weight: 160.216
• DSSTox Substance ID: DTXSID001278313
• Mol file: 1685-81-0.mol

Synonyms:1685-81-0;4,6-Dimethyl-2,3-dihydro-1H-inden-1-one;1H-inden-1-one, 2,3-dihydro-4,6-dimethyl-;4,6-dimethyl-1-indanone;4,6-dimethyl-2,3-dihydroinden-1-one;2,3-Dihydro-4,6-dimethyl-1H-inden-1-one;4,6-dimethylindan-1-one;SCHEMBL1508681;DTXSID001278313;BAA68581;MFCD09908137;AKOS010641441;DS-19454;CS-0162697;F52790

Chemical Property of 1H-inden-1-one, 2,3-dihydro-4,6-dimethyl-

Chemical Property:

• PSA: 17.07000
• LogP: 2.43230
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 160.088815002
• Heavy Atom Count: 12
• Complexity: 197

Purity/Quality:

99% ^*data from raw suppliers

4,6-Dimethyl-2,3-dihydro-1H-inden-1-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C2CCC(=O)C2=C1)C

Technology Process of 1H-inden-1-one, 2,3-dihydro-4,6-dimethyl-

There total 20 articles about 1H-inden-1-one, 2,3-dihydro-4,6-dimethyl- 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%

3-(2,4-dimethylphenyl)propionic acid (1811-85-4) → 4,6-dimethyl-2,3-dihydro-1H-inden-1-one (1685-81-0)

Guidance literature:

With polyphosphoric acid; In water; at 90 ℃; for 1h; Cooling with ice;

Reference yield: 1.4%

3-(2,4-dimethylphenyl)propionic acid (1811-85-4) → 4,6-dimethyl-2,3-dihydro-1H-inden-1-one (1685-81-0) + 4,6-Dimethyl-2-(4,6-dimethylindanyliden-1)-indan-1-on

Guidance literature:

With PPA; at 70 ℃; for 3h;

DOI:10.1007/BF00807400

Reference yield:

2,4-dimethylbenzaldehyde (15764-16-6) → 4,6-dimethyl-2,3-dihydro-1H-inden-1-one (1685-81-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 95.2 percent / pyridine, piperidine / 48 h / 80 °C

2: 97 percent / H₂ / 10percent Pd/C / dioxane / 517.1 - 1551.4 Torr

3: 91.5 percent / polyphosphoric acid / 3 h / 70 °C

With piperidine; pyridine; PPA; hydrogen; palladium on activated charcoal; In 1,4-dioxane;

DOI:10.1007/BF00807400

upstream raw materials:

3-(2,4-dimethyl-phenyl)-propionyl chloride

3-(2,4-dimethylphenyl)propionic acid

4,6-dimethylindane

2,4-dimethylbenzyl alcohol

Downstream raw materials:

4,6-dimethylindane

5,7-dimethyl-1H-indene

(3S)-3-(4-{[(1R)-4,6-dimethyl-2,3-dihydro-1H-inden-1-yl]oxy}phenyl)-3-ethoxypropionic acid

(3S)-3-(4-{[(1R)-4,6-Dimethyl-2,3-dihydro-1H-inden-1-yl]oxy}phenyl)-3-ethoxypropan-1-ol