(3AS,6AS)-Hexahydro-1(2H)-pentalenone

Base Information

Chemical Name:(3AS,6AS)-Hexahydro-1(2H)-pentalenone
CAS No.:32405-37-1
Molecular Formula:C₈H₁₂O
Molecular Weight:124.183
Hs Code.:
European Community (EC) Number:818-513-0
Nikkaji Number:J893.405C

Synonyms:32405-37-1;(3AS,6AS)-HEXAHYDRO-1(2H)-PENTALENONE;Rac-(3ar,6ar)-octahydropentalen-1-one, cis;RAC-(3AR,6AR)-OCTAHYDROPENTALEN-1-ONE;(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one;E73246;EN300-373392

Suppliers and Price of (3AS,6AS)-Hexahydro-1(2H)-pentalenone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of (3AS,6AS)-Hexahydro-1(2H)-pentalenone

Chemical Property:

XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:124.088815002
Heavy Atom Count:9
Complexity:140

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC2CCC(=O)C2C1
Isomeric SMILES:C1C[C@H]2CCC(=O)[C@H]2C1

Technology Process of (3AS,6AS)-Hexahydro-1(2H)-pentalenone

There total 2 articles about (3AS,6AS)-Hexahydro-1(2H)-pentalenone 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:

: 79643-80-4,85051-12-3
(+/-)-trimethyl(9-oxabicyclo[6.1.0]non-1-yl)silane

: 502-49-8
cycloactanone

: 32405-37-1
cis-bicyclo[3.3.0]octan-2-one

Guidance literature:: Multistep reaction;
DOI:10.1016/0040-4020(82)87023-3

Reference yield:

: 930-99-4
(3aS,6aS)-1,2,3,3a,4,6a-Hexahydro-pentalene

: 19915-11-8
(3aRS,6aSR)-hexahydro-2(1H)-pentalenone

: 32405-37-1
cis-bicyclo[3.3.0]octan-2-one

Guidance literature:: With sodium tetrahydroborate; boron trifluoride diethyl etherate; chromic acid; Yield given. Multistep reaction. Yields of byproduct given; 1.) THF, RT, 2h 2.) water, 2h;
DOI:10.1021/jo00212a036

Reference yield:

: 32405-37-1
cis-bicyclo[3.3.0]octan-2-one

: 74532-61-9
(2S,3aS,6aS)-2-Benzenesulfonyl-2-(2-trimethylsilanylmethyl-allyl)-hexahydro-pentalen-1-one

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) LDA / 1) THF, -78 deg C --> room temperature

2: MCPBA / CH₂Cl₂ / 0 deg C --> room temperature

3: 1.) NaH, 2.) NaI / 2) DMF, 55 deg C, 2 -12 h

With sodium hydride; 3-chloro-benzenecarboperoxoic acid; sodium iodide; lithium diisopropyl amide; In dichloromethane;
DOI:10.1021/ja00537a049