Ethyl 6-methyl-5-nitrobenzo[B]thiophene-2-carboxylate

Base Information

Chemical Name:Ethyl 6-methyl-5-nitrobenzo[B]thiophene-2-carboxylate
CAS No.:159730-73-1
Molecular Formula:C12H11NO4S
Molecular Weight:265.29
Hs Code.:
DSSTox Substance ID:DTXSID30443820
Wikidata:Q72476026
Mol file:159730-73-1.mol

Synonyms:159730-73-1;ETHYL 6-METHYL-5-NITROBENZO[B]THIOPHENE-2-CARBOXYLATE;Ethyl 6-methyl-5-nitro-1-benzothiophene-2-carboxylate;SCHEMBL9050509;DTXSID30443820;KXVNMLGGASMUOZ-UHFFFAOYSA-N;AKOS015909655

Suppliers and Price of Ethyl 6-methyl-5-nitrobenzo[B]thiophene-2-carboxylate

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 5 raw suppliers

Chemical Property of Ethyl 6-methyl-5-nitrobenzo[B]thiophene-2-carboxylate

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Refractive Index:1.638
Boiling Point:409.608 °C at 760 mmHg
Flash Point:201.524 °C
PSA：100.36000
Density:1.356g/cm³
LogP:3.81780
XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:265.04087901
Heavy Atom Count:18
Complexity:344

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=CC2=C(S1)C=C(C(=C2)[N+](=O)[O-])C

Technology Process of Ethyl 6-methyl-5-nitrobenzo[B]thiophene-2-carboxylate

There total 2 articles about Ethyl 6-methyl-5-nitrobenzo[B]thiophene-2-carboxylate 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: 99.8%

: 623-51-8
ethyl 2-sulfanylacetate

: 159730-72-0
2-bromo-4-methyl-5-nitrobenzaldehyde

: 159730-73-1
ethyl 6-methyl-5-nitrobenzo[b]thiophene-2-carboxylate

Guidance literature:: With sodium; In ethanol; for 3h; Inert atmosphere; Reflux;

Reference yield:

: 824-54-4
2-bromo-4-methylbenzaldehyde

: 159730-73-1
ethyl 6-methyl-5-nitrobenzo[b]thiophene-2-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 63 percent / conc. H₂SO₄, conc. HNO₃ / 0.33 h / 15 °C

2: 1.) NaOEt / 1.) EtOH, 5 deg C, 20 min, 2.) EtOH, reflux, 3 h

With sulfuric acid; nitric acid; sodium ethanolate;
DOI:10.1021/jm960571v