hexahydro-1H-inden-4(2H)-one

Base Information

• Chemical Name: hexahydro-1H-inden-4(2H)-one
• CAS No.: 3513-11-9
• Molecular Formula: C₉H₁₄O
• Molecular Weight: 138.21
• NSC Number: 108272,20780
• DSSTox Substance ID: DTXSID90956562
• Nikkaji Number: J932.992G
• Mol file: 3513-11-9.mol

Synonyms:hexahydro-1H-inden-4(2H)-one;5686-83-9;4H-Inden-4-one,octahydro-;3513-11-9;octahydro-4h-inden-4-one;NSC20780;4H-inden-4-one,octahydro-, (3ar,7ar)-rel-;SCHEMBL4740702;SCHEMBL14877806;DTXSID90956562;FKHQVTZBKCBVOA-UHFFFAOYSA-N;NSC-20780;NSC108272;NSC-108272

Chemical Property of hexahydro-1H-inden-4(2H)-one

Chemical Property:

• Vapor Pressure: 0.117mmHg at 25°C
• Boiling Point: 219.8°Cat760mmHg
• Flash Point: 79.6°C
• Density: 1.007g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 138.104465066
• Heavy Atom Count: 10
• Complexity: 151

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CCCC(=O)C2C1

Technology Process of hexahydro-1H-inden-4(2H)-one

There total 1 articles about hexahydro-1H-inden-4(2H)-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:

1,2,3,5,6,7-hexahydro-inden-4-one (22118-01-0) → bicyclo<4.3.0>non-1(6)-en-2-ol (142843-45-6) + cis-bicyclo<4.3.0>nonan-2-one (3513-11-9) + trans-bicyclo<4.3.0>nonan-2-one (20480-53-9) + Z-(1,6)-bicyclo<4.3.0>nonan-ol (2910-64-7,25050-78-6,25050-79-7,80091-38-9,90645-84-4)

Guidance literature:

With isopropyl alcohol; Product distribution; Mechanism; Irradiation;

DOI:10.1021/ja00044a012

Reference yield: 66.0%

cis-bicyclo<4.3.0>nonan-2-one (3513-11-9) → Z-(1,6)-bicyclo<4.3.0>nonan-ol (2910-64-7,25050-78-6,25050-79-7,80091-38-9,90645-84-4)

Guidance literature:

cis-bicyclo<4.3.0>nonan-2-one; With L-Selectride; In tetrahydrofuran; dichloromethane; at -78 ℃; for 1h; Inert atmosphere;

With dihydrogen peroxide; sodium hydroxide; In tetrahydrofuran; dichloromethane; water; at -78 - 23 ℃; for 1h;

Reference yield: 66.0%

cis-bicyclo<4.3.0>nonan-2-one (3513-11-9) → (+/-)-endo,cis-bicyclo[4.3.0]nonan-2-ol (2910-64-7,25050-78-6,25050-79-7,80091-38-9,90645-84-4)

Guidance literature:

cis-bicyclo<4.3.0>nonan-2-one; With L-Selectride; In dichloromethane; at -78 ℃; for 1h; Inert atmosphere;

With dihydrogen peroxide; sodium hydroxide; In dichloromethane; water; at 23 ℃; Inert atmosphere;

DOI:10.1021/jm1012787

upstream raw materials:

1,2,3,5,6,7-hexahydro-inden-4-one

Downstream raw materials:

(+/-)-4-Hydroxyimino-trans-hexahydro-indan

cis-Perhydroindan-4-on-oxim

2-Methylen-cis-bicyclo<4.3.0>nonan

(+/-)-endo,cis-bicyclo[4.3.0]nonan-2-ol