2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-one

Base Information

Chemical Name:2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-one
CAS No.:84391-39-9
Molecular Formula:C13H12 N2 O
Molecular Weight:212.24718
Hs Code.:2934999090
ChEMBL ID:CHEMBL334945
DSSTox Substance ID:DTXSID80467617
Nikkaji Number:J759.051B
Mol file:84391-39-9.mol

Synonyms:84391-39-9;2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-one;2-(1H-Imidazol-1-yl)-3,4-dihydronaphthalen-1(2H)-one;2-(1H-imidazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-one;CHEMBL334945;SCHEMBL9790099;DTXSID80467617;GQRADTVKEIYYAK-UHFFFAOYSA-N;AKOS015965745;2-(1-imidazolyl)-3,4-dihydro-1(2H)-naphthalenone

Suppliers and Price of 2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-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

American Custom Chemicals Corporation
2-IMIDAZOL-1-YL-3,4-DIHYDRO-2H-NAPHTHALEN-1-ONE 95.00%
5MG
$ 500.21

AccelPharmtech
3,4-dihydro-2-(1H-imidazol-1-yl)-1(2H)-Naphthalenone 97.00%
25G
$ 4010.00

AccelPharmtech
3,4-dihydro-2-(1H-imidazol-1-yl)-1(2H)-Naphthalenone 97.00%
5G
$ 2180.00

AccelPharmtech
3,4-dihydro-2-(1H-imidazol-1-yl)-1(2H)-Naphthalenone 97.00%
1G
$ 1940.00

Total 3 raw suppliers

Chemical Property of 2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-one

Chemical Property:

Melting Point:71 °C
Boiling Point:446.6±34.0 °C(Predicted)
PKA:5.91±0.10(Predicted)
PSA：34.89000
Density:1.25±0.1 g/cm3(Predicted)
LogP:2.25330
XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:212.094963011
Heavy Atom Count:16
Complexity:279

Purity/Quality:: 2-IMIDAZOL-1-YL-3,4-DIHYDRO-2H-NAPHTHALEN-1-ONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC2=CC=CC=C2C(=O)C1N3C=CN=C3

Technology Process of 2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-one

There total 3 articles about 2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-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: 65.0%

: 288-32-4
1H-imidazole

: 1056246-70-8,13672-07-6
2-bromo-1-tetralone

: 84391-39-9
3,4-Dihydro-2-(1H-imidazol-1-yl)-1-naphthalenone

Guidance literature:: In N,N-dimethyl-formamide; at 20 ℃;
DOI:10.1021/jm060055x

Reference yield:

: 529-34-0
3,4-dihydronaphthalene-1(2H)-one

: 84391-39-9
3,4-Dihydro-2-(1H-imidazol-1-yl)-1-naphthalenone

Guidance literature:: Multi-step reaction with 2 steps

1: 50 percent / tetrabutylammonium tribromide / methanol; CH₂Cl₂ / 20 °C

2: 65 percent / dimethylformamide / 20 °C

With tetra-N-butylammonium tribromide; In methanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm060055x

Reference yield:

: 529-34-0
3,4-dihydronaphthalene-1(2H)-one

: 84391-39-9
3,4-Dihydro-2-(1H-imidazol-1-yl)-1-naphthalenone

Guidance literature:: Multi-step reaction with 2 steps

1: N-Bromosuccinimide; toluene-4-sulfonic acid / dichloromethane / 4 h / 0 °C / Inert atmosphere; Reflux

2: potassium carbonate / acetonitrile / 21 h / 40 - 80 °C / Inert atmosphere

With N-Bromosuccinimide; potassium carbonate; toluene-4-sulfonic acid; In dichloromethane; acetonitrile;
DOI:10.1021/acs.orglett.6b03334