1,2,3,3a,4,5-Hexahydrocanthin-6-one

Base Information

Chemical Name:1,2,3,3a,4,5-Hexahydrocanthin-6-one
CAS No.:26400-25-9
Molecular Formula:C14H14 N2 O
Molecular Weight:226.278
Hs Code.:2933990090
DSSTox Substance ID:DTXSID70949290
ChEMBL ID:CHEMBL3746235
Mol file:26400-25-9.mol

Synonyms:1,2,3,3a,4,5-hexahydro-6H-indol(3,2,1-de)(1,5)naphthyridin-6-one;1,2,3,3a,4,5-hexahydrocanthin-6-one;HCl of 1,2,3,3a,4,5-hexahydrocanthin-6-one

Suppliers and Price of 1,2,3,3a,4,5-Hexahydrocanthin-6-one

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 3 raw suppliers

Chemical Property of 1,2,3,3a,4,5-Hexahydrocanthin-6-one

Chemical Property:

Vapor Pressure:4.56E-07mmHg at 25°C
Boiling Point:414.1°Cat760mmHg
Flash Point:204.2°C
PSA：34.03000
Density:1.44g/cm³
LogP:2.59090
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:226.110613074
Heavy Atom Count:17
Complexity:343

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC(=O)N2C3=CC=CC=C3C4=C2C1NCC4

Technology Process of 1,2,3,3a,4,5-Hexahydrocanthin-6-one

There total 7 articles about 1,2,3,3a,4,5-Hexahydrocanthin-6-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: 83.0%

: 65284-99-3
N_b-benzyl-1,2,3,3a,4,5-hexahydrocanthin-6-one

: 26400-25-9
1,2,3,3a,4,5-hexahydrocanthin-6-one

Guidance literature:: With methanol; ammonium formate; palladium on activated charcoal; In benzene; for 36h; Heating;
DOI:10.1081/SCC-120017199

Reference yield:

: 61-54-1
tryptamine

: 26400-25-9
1,2,3,3a,4,5-hexahydrocanthin-6-one

Guidance literature:: Multi-step reaction with 4 steps

1: 95 percent / NaOH / acetone / -30 °C

2: 98 percent / LiAlH₄ / tetrahydrofuran / Heating

3: 80 percent / benzene; dioxane / Heating

4: 83 percent / HCO₂NH₄; CH₃OH / 10 percent Pd/C / benzene / 36 h / Heating

With methanol; sodium hydroxide; lithium aluminium tetrahydride; ammonium formate; palladium on activated charcoal; In tetrahydrofuran; 1,4-dioxane; acetone; benzene; 3: Pictet-Spengler condensation;
DOI:10.1081/SCC-120017199

Reference yield:

: 15741-79-4
N-benzyl tryptamine

: 26400-25-9
1,2,3,3a,4,5-hexahydrocanthin-6-one

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / benzene; dioxane / Heating

2: 83 percent / HCO₂NH₄; CH₃OH / 10 percent Pd/C / benzene / 36 h / Heating

With methanol; ammonium formate; palladium on activated charcoal; In 1,4-dioxane; benzene; 1: Pictet-Spengler condensation;
DOI:10.1081/SCC-120017199