2H-Inden-2-one, octahydro-3a-methyl-, cis-

Base Information

• Chemical Name: 2H-Inden-2-one, octahydro-3a-methyl-, cis-
• CAS No.: 13351-29-6
• Molecular Formula: C₁₀H₁₆O
• Molecular Weight: 152.236
• DSSTox Substance ID: DTXSID90928168
• Mol file: 13351-29-6.mol

Synonyms:13351-29-6;2H-Inden-2-one, octahydro-3a-methyl-, cis-;2-Indanone, hexahydro-3a-methyl-, cis-;2H-Inden-2-one, octahydro-3a-methyl-, trans-;3a-methyl-octahydro-1H-inden-2-one;rac-(3aR,7aS)-3a-methyl-octahydro-1H-inden-2-one, cis;2-Indanone, hexahydro-3a-methyl-, trans-;7a-methyl-3,3a,4,5,6,7-hexahydro-1H-inden-2-one;DTXSID90928168;AMBOSHXMUMOHBF-UHFFFAOYSA-N;3a-Methyloctahydro-2H-inden-2-one;20379-99-1;3a-Methyloctahydro-2H-inden-2-one, (Z)-

Chemical Property of 2H-Inden-2-one, octahydro-3a-methyl-, cis-

Chemical Property:

• Vapor Pressure: 0.095mmHg at 25°C
• Boiling Point: 223.7°Cat760mmHg
• Flash Point: 81.9°C
• Density: 1.001g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 152.120115130
• Heavy Atom Count: 11
• Complexity: 185

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC12CCCCC1CC(=O)C2

Technology Process of 2H-Inden-2-one, octahydro-3a-methyl-, cis-

There total 41 articles about 2H-Inden-2-one, octahydro-3a-methyl-, cis- 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: 92.0%

7a-methyl-1,4,5,6,7,7a-hexahydro-2H-inden-2-one (16508-51-3,54725-16-5) → cis-2H-1,3,3a,4,5,6,7,7a-octahydro-7a-methyl-2-indenone (13351-29-6,20379-99-1,61248-51-9,147649-55-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; for 48h; under 760.051 Torr;

DOI:10.1002/ejoc.201101192

Reference yield: 91.0%

1,4,5,6,7,7a-hexahydro-inden-2-one (39163-29-6,117780-10-6) + lithium dimethylcuprate (15681-48-8) → cis-2H-1,3,3a,4,5,6,7,7a-octahydro-7a-methyl-2-indenone (13351-29-6,20379-99-1,61248-51-9,147649-55-6)

Guidance literature:

In diethyl ether; at -25 ℃; for 6h;

DOI:10.1007/PL00010187

Reference yield: 80.0%

6-methyltricyclo[4.3.0.02,9]nonan-8-one → cis-2H-1,3,3a,4,5,6,7,7a-octahydro-7a-methyl-2-indenone (13351-29-6,20379-99-1,61248-51-9,147649-55-6)

Guidance literature:

With ammonia; lithium; for 0.25h;

DOI:10.1039/c39930000285

upstream raw materials:

((1R)-1-methyl-cyclohexane-1r,2t-diyl)-di-acetic acid

(2E/Z,3aα,7aβ)-Octahydro-3a-methyl-2-(phenylmethylene)-1H-indene

1β-methylcyclohexane-1α,2β-diacetic acid

3-hydroxymethylcyclohexene

Downstream raw materials:

cis-2-methyl-2-carboxy-cyclohexane-1-acetic acid