2-[(4-Nitrophenoxy)methyl]-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione

Base Information

Chemical Name:2-[(4-Nitrophenoxy)methyl]-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
CAS No.:109538-88-7
Molecular Formula:C14H10N2O6S
Molecular Weight:334.309
Hs Code.:
DSSTox Substance ID:DTXSID50566080
Nikkaji Number:J549.557A
Wikidata:Q82451527

Synonyms:109538-88-7;SCHEMBL7278262;DTXSID50566080;VFIPPRKNMLBVJY-UHFFFAOYSA-N;2-(4-nitrophenoxymethyl)-saccharin;2-[(4-Nitrophenoxy)methyl]-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione

Suppliers and Price of 2-[(4-Nitrophenoxy)methyl]-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione

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 0 raw suppliers

Chemical Property of 2-[(4-Nitrophenoxy)methyl]-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:334.02595722
Heavy Atom Count:23
Complexity:573

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Technology Process of 2-[(4-Nitrophenoxy)methyl]-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione

There total 4 articles about 2-[(4-Nitrophenoxy)methyl]-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione 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: 47.0%

: 100-17-4
para-methoxynitrobenzene

: 81-07-2
saccharin

: 109538-88-7
2-((4-nitrophenoxy)methyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide

Guidance literature:: With tert.-butylhydroperoxide; tetra-(n-butyl)ammonium iodide; In water; at 120 ℃; for 12h; Green chemistry;
DOI:10.1039/c4cc06003b

Reference yield: 33.0%

: 100-02-7,78813-13-5,89830-32-0
4-nitro-phenol

: 13947-21-2
N-chloromethylsaccharin

: 109538-88-7
2-((4-nitrophenoxy)methyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide

Guidance literature:: With potassium carbonate; sodium iodide; In acetone;
DOI:10.1021/jo00070a029

Reference yield:

: 13947-20-1
N-(hydroxymethyl)saccharin

: 109538-88-7
2-((4-nitrophenoxy)methyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide

Guidance literature:: Multi-step reaction with 2 steps

1: PCl₅ / diethyl ether

2: 33 percent / potassium carbonate, NaI / acetone

With phosphorus pentachloride; potassium carbonate; sodium iodide; In diethyl ether; acetone;
DOI:10.1021/jo00070a029