Octahydropentalene-1-carbonyl chloride

Base Information

Chemical Name:Octahydropentalene-1-carbonyl chloride
CAS No.:174020-37-2
Molecular Formula:C₉H₁₃ClO
Molecular Weight:172.655
Hs Code.:
DSSTox Substance ID:DTXSID10511970
Mol file:174020-37-2.mol

Synonyms:174020-37-2;1-Pentalenecarbonyl chloride, octahydro- (9CI);1,2,3,3a,4,5,6,6a-octahydropentalene-1-carbonyl chloride;Octahydropentalene-1-carbonyl chloride;SCHEMBL9539732;DTXSID10511970

Suppliers and Price of Octahydropentalene-1-carbonyl chloride

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 Octahydropentalene-1-carbonyl chloride

Chemical Property:

PSA：17.07000
LogP:2.57810
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:172.0654927
Heavy Atom Count:11
Complexity:178

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC2CCC(C2C1)C(=O)Cl

Technology Process of Octahydropentalene-1-carbonyl chloride

There total 8 articles about Octahydropentalene-1-carbonyl chloride 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:

: 7403-22-7,18209-43-3
cis-bicyclo<3.3.0>octane-2-carboxylic acid

: 72028-18-3,174020-37-2
(3aR,6aR)-Octahydro-pentalene-1-carbonyl chloride

Guidance literature:: With thionyl chloride; In pyridine; at 0 - 60 ℃; for 0.166667h;
DOI:10.1021/jm00083a018

Reference yield:

: 7403-22-7,18209-43-3
(+/-)-(3ar,6ac)-octahydro-pentalene-1t-carboxylic acid

: 72028-18-3,174020-37-2
cis-bicyclo[3.3.0]oct-endo-2-ylcarbonyl chloride

Guidance literature:: With thionyl chloride;
DOI:10.1016/0040-4020(81)80014-2

Reference yield:

: 286-62-4
Cyclooctene oxide

: 72028-18-3,174020-37-2
cis-bicyclo[3.3.0]oct-endo-2-ylcarbonyl chloride

Guidance literature:: Multi-step reaction with 6 steps

1: LiN(i-Pr)2

2: Jones reagent

4: B₂H₆, H₂O₂

5: Jones reagent

6: SOCl₂

With thionyl chloride; jones reagent; dihydrogen peroxide; diborane; lithium diisopropyl amide;
DOI:10.1016/0040-4020(81)80014-2