5-(Phenylethynyl)naphthalene-1,4-dione

Base Information

Chemical Name:5-(Phenylethynyl)naphthalene-1,4-dione
CAS No.:94849-08-8
Molecular Formula:C₁₈H₁₀O₂
Molecular Weight:258.276
Hs Code.:
ChEMBL ID:CHEMBL4163114
DSSTox Substance ID:DTXSID20536159
Nikkaji Number:J3.551.464C
Wikidata:Q82410736

Synonyms:5-phenylethynyl-1,4-naphthoquinone;94849-08-8;5-(Phenylethynyl)naphthalene-1,4-dione;CHEMBL4163114;DTXSID20536159

Suppliers and Price of 5-(Phenylethynyl)naphthalene-1,4-dione

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 5-(Phenylethynyl)naphthalene-1,4-dione

Chemical Property:

XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:258.068079557
Heavy Atom Count:20
Complexity:496

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)C#CC2=C3C(=O)C=CC(=O)C3=CC=C2

Technology Process of 5-(Phenylethynyl)naphthalene-1,4-dione

There total 3 articles about 5-(Phenylethynyl)naphthalene-1,4-dione 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: 64.0%

: 13146-23-1
copper(I) phenylacetylenide

: 62784-50-3
5-iodo-1,4-naphthoquinone

: 94849-08-8
5-phenylethynyl-1,4-naphthoquinone

Guidance literature:: With pyridine; at 70 ℃;
DOI:10.1039/c6sc00302h

Reference yield:

: 130-15-4
[1,4]naphthoquinone

: 94849-08-8
5-phenylethynyl-1,4-naphthoquinone

Guidance literature:: Multi-step reaction with 2 steps

1: [Cp*^isopropylRhCl]₂(μ²-Cl)₂; silver(I) triflimide; copper diacetate; N-iodo-succinimide / dichloromethane / 16 h / 100 °C

2: pyridine / 70 °C

With pyridine; N-iodo-succinimide; [Cp*^isopropylRhCl]₂(μ²-Cl)₂; copper diacetate; silver(I) triflimide; In dichloromethane;
DOI:10.1039/c6sc00302h

Reference yield:

: 62784-50-3
5-iodo-1,4-naphthoquinone

: 536-74-3
phenylacetylene

: 94849-08-8
5-phenylethynyl-1,4-naphthoquinone

Guidance literature:: With ammonium hydroxide; ammonium chloride; hydroxylamine sulfate; copper(l) chloride; Yield given. Multistep reaction; 1.) ethanol, 2.) 75-80 deg C, 20 min;
DOI:10.1007/BF00948851