Hexahydropentalene-3a(1H)-carbonyl chloride

Base Information

Chemical Name:Hexahydropentalene-3a(1H)-carbonyl chloride
CAS No.:72009-31-5
Molecular Formula:C₉H₁₃ClO
Molecular Weight:172.655
Hs Code.:
DSSTox Substance ID:DTXSID30546825
Wikidata:Q82424743
Mol file:72009-31-5.mol

Synonyms:72009-31-5;Hexahydropentalene-3a(1H)-carbonyl chloride;DTXSID30546825

Suppliers and Price of Hexahydropentalene-3a(1H)-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
Packaging
price

Total 4 raw suppliers

Chemical Property of Hexahydropentalene-3a(1H)-carbonyl chloride

Chemical Property:

PSA：17.07000
LogP:2.72220
XLogP3:3.2
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:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC2CCCC2(C1)C(=O)Cl

Technology Process of Hexahydropentalene-3a(1H)-carbonyl chloride

There total 2 articles about Hexahydropentalene-3a(1H)-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: 55.0%

: 32789-48-3
1-Carboxy-cis-bicyclo<3.3.0>octane

: 72009-31-5
cis-bicyclo[3.3.0]octane-1-carbonyl chloride

Guidance literature:: With thionyl chloride; In benzene; at 65 ℃; for 1h;
DOI:10.1246/bcsj.70.1615

Reference yield:

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

: 72009-31-5
cis-bicyclo[3.3.0]octane-1-carbonyl chloride

Guidance literature:: Multi-step reaction with 2 steps

1: 35 percent / H₂SO₄ / CCl₄ / 4 h / 20 °C

2: 55 percent / SOCl₂ / benzene / 1 h / 65 °C

With thionyl chloride; sulfuric acid; In tetrachloromethane; benzene; 1: hydrocarboxylation / 2: Chlorination;
DOI:10.1246/bcsj.70.1615