3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate

Base Information

Chemical Name:3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate
CAS No.:17205-33-3
Molecular Formula:C12H7 Cl O4
Molecular Weight:250.638
Hs Code.:
NSC Number:121718
DSSTox Substance ID:DTXSID60298224
Nikkaji Number:J1.275.770K
Wikidata:Q82039897
Mol file:17205-33-3.mol

Synonyms:17205-33-3;2-acetoxy-3-chloro-1,4-naphthoquinone;3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate;NSC121718;SCHEMBL10959287;DTXSID60298224;DKDAVCDABKEAHW-UHFFFAOYSA-N;NSC-121718

Suppliers and Price of 3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate

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 3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate

Chemical Property:

Vapor Pressure:4.78E-05mmHg at 25°C
Boiling Point:349.2°Cat760mmHg
Flash Point:147.6°C
Density:1.46g/cm³
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:250.0032864
Heavy Atom Count:17
Complexity:424

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OC1=C(C(=O)C2=CC=CC=C2C1=O)Cl

Technology Process of 3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate

There total 2 articles about 3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate 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:

: 117-80-6
2,3-Dichloro-1,4-naphthoquinone

: 127-09-3
sodium acetate

: 17205-33-3
2-acetoxy-3-chloro-1,4-naphthoquinone

Guidance literature:: With ethanol;

Reference yield:

: 17205-33-3
2-acetoxy-3-chloro-1,4-naphthoquinone

Guidance literature:: 2-Chlor-3-hydroxy-1,4-naphthochinon, Acetanhydrid, Py.;
DOI:10.1039/jr9640003990

Reference yield:

: 17205-33-3
2-acetoxy-3-chloro-1,4-naphthoquinone

: 605-32-3
2-hydroxy-9,10-anthraquinone

Guidance literature:: Multi-step reaction with 3 steps

1: 79 percent / benzene / 120 h / 20 °C

2: 86 percent / aq. HCl / tetrahydrofuran / 3 h / 20 °C

3: 54 percent / Zn; glac. HOAc / 3 h / 20 °C

With hydrogenchloride; acetic acid; zinc; In tetrahydrofuran; benzene; 1: Diels-Alder cycloaddition / 2: desilylation / 3: Reduction;
DOI:10.1071/CH99179