Naphthylin

Base Information

Chemical Name:Naphthylin
CAS No.:1786-03-4
Molecular Formula:C₁₉H₁₂O₂
Molecular Weight:272.303
Hs Code.:2914399090
DSSTox Substance ID:DTXSID1058002
Nikkaji Number:J7.776C
Wikidata:Q81976757
ChEMBL ID:CHEMBL280343
Mol file:1786-03-4.mol

Synonyms:Naphthylin;Radione;1786-03-4;2-naphthalen-1-ylindene-1,3-dione;2-alpha-Naphtylindandione-1,3;2-(1-Naphthyl)-1H-indene-1,3(2H)-dione;1,3-Indandione, 2-(1-naphthyl)-;2-alpha-Naftyloindandion-1,3 [Polish];BRN 2126854;2-alpha-Naftyloindandion-1,3;NID;Maybridge1_006858;CBMicro_005281;CHEMBL280343;SCHEMBL2358320;DTXSID1058002;HMS560P16;2-(1-naphthyl)-1,3-indandione;SMSF0003650;AKOS003244573;CB07335;CCG-248778;LS-81246;BIM-0005128.P001;1H-Indene-1,3(2H)-dione, 2-(1-naphthalenyl)-

Suppliers and Price of Naphthylin

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

TRC
Naphthylin
500mg
$ 2480.00

Total 7 raw suppliers

Chemical Property of Naphthylin

Chemical Property:

Vapor Pressure:3.54E-10mmHg at 25°C
Boiling Point:501.2°Cat760mmHg
Flash Point:185.3°C
PSA：34.14000
Density:1.297g/cm³
LogP:4.00260
XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:272.083729621
Heavy Atom Count:21
Complexity:417

Purity/Quality:

99% ^*data from raw suppliers

Naphthylin ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C=CC=C2C3C(=O)C4=CC=CC=C4C3=O
Uses Naphthylin is a novel indanedione with anticoagulation, antitumor, and hypolipidemic activity.

Technology Process of Naphthylin

There total 8 articles about Naphthylin 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: 91.0%

: 606-23-5
1H-indene-1,3(2H)-dione

: 99747-74-7
1-naphthyl triflate

: 1786-03-4
2-(1-naphthyl)indane-1,3-dione

Guidance literature:: With dichloro bis(acetonitrile) palladium(II); potassium tert-butylate; tert-butyl XPhos; In 1,4-dioxane; at 110 ℃; for 12h; Sealed tube; Inert atmosphere;
DOI:10.1021/acs.joc.1c01149

Reference yield: 69.0%

: 87-41-2
2-benzofuran-1(3H)-one

: 66-77-3
1-naphthaldehyde

: 1786-03-4
2-(1-naphthyl)indane-1,3-dione

Guidance literature:: With sodium; In methanol; ethyl acetate; for 2h; Heating;

Reference yield:

: 90-15-3
α-naphthol

: 1786-03-4
2-(1-naphthyl)indane-1,3-dione

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 3.25 h / 0 - 20 °C

2: dichloro bis(acetonitrile) palladium(II); tert-butyl XPhos; potassium tert-butylate / 1,4-dioxane / 12 h / 110 °C / Sealed tube; Inert atmosphere

With dichloro bis(acetonitrile) palladium(II); potassium tert-butylate; triethylamine; tert-butyl XPhos; In 1,4-dioxane; dichloromethane;
DOI:10.1021/acs.joc.1c01149