5-Bromo-2-nitrothiophene-3-carboxamide

Base Information

Chemical Name:5-Bromo-2-nitrothiophene-3-carboxamide
CAS No.:1093878-20-6
Molecular Formula:C5H3BrN2O3S
Molecular Weight:251.06
Hs Code.:2934999090
DSSTox Substance ID:DTXSID90695080
Wikidata:Q82624088
Mol file:1093878-20-6.mol

Synonyms:5-BROMO-2-NITROTHIOPHENE-3-CARBOXAMIDE;1093878-20-6;SCHEMBL1428156;DTXSID90695080;UUIXLRCZHBPZNE-UHFFFAOYSA-N;FT-0765438;J-516988;W-204721

Suppliers and Price of 5-Bromo-2-nitrothiophene-3-carboxamide

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

Crysdot
5-Bromo-2-nitrothiophene-3-carboxamide 95+%
1g
$ 986.00

Arctom
5-Bromo-2-nitrothiophene-3-carboxamide
1g
$ 1026.00

Alichem
5-Bromo-2-nitrothiophene-3-carboxamide
1g
$ 1099.35

Alichem
5-Bromo-2-nitrothiophene-3-carboxamide
250mg
$ 448.33

Total 3 raw suppliers

Chemical Property of 5-Bromo-2-nitrothiophene-3-carboxamide

Chemical Property:

Boiling Point:320.4±42.0 °C(Predicted)
PKA:14.28±0.50(Predicted)
PSA：118.14000
Density:1.998±0.06 g/cm3(Predicted)
LogP:2.92510
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:249.90478
Heavy Atom Count:12
Complexity:219

Purity/Quality:

98% ^*data from raw suppliers

5-Bromo-2-nitrothiophene-3-carboxamide 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(SC(=C1C(=O)N)[N+](=O)[O-])Br

Technology Process of 5-Bromo-2-nitrothiophene-3-carboxamide

There total 3 articles about 5-Bromo-2-nitrothiophene-3-carboxamide 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:

: 1201924-03-9
5-bromo-2-nitrothiophene-3-carbaldehyde oxime

: 1093878-20-6
5-bromo-2-nitrothiophene-3-carboxamide

Guidance literature:: With toluene-4-sulfonic acid; carbonyl bis(hydrido)tris(triphenylphosphine)ruthenium(II); 1,2-Bis(phenylphosphino)ethane; In toluene; at 111 ℃; for 24h; Inert atmosphere;

Reference yield:

: 1093878-17-1
5-bromo-3-(dichloromethyl)-2-nitrothiophene

: 1093878-20-6
5-bromo-2-nitrothiophene-3-carboxamide

Guidance literature:: Multi-step reaction with 3 steps

1: formic acid; zinc(II) chloride / Reflux

2: hydroxylamine hydrochloride; sodium acetate / ethanol / 20 °C

3: toluene-4-sulfonic acid; 1,2-bis-(diphenylphosphino)ethane / carbonyl bis(hydrido)tris(triphenylphosphine)ruthenium(II) / toluene / 24 h / 111 °C / Inert atmosphere

With formic acid; hydroxylamine hydrochloride; sodium acetate; toluene-4-sulfonic acid; 1,2-bis-(diphenylphosphino)ethane; zinc(II) chloride; carbonyl bis(hydrido)tris(triphenylphosphine)ruthenium(II); In ethanol; toluene;

Reference yield:

: 1093878-18-2
5-bromo-2-nitrothiophene-3-carbaldehyde

: 1093878-20-6
5-bromo-2-nitrothiophene-3-carboxamide

Guidance literature:: Multi-step reaction with 2 steps

1: hydroxylamine hydrochloride; sodium acetate / ethanol / 20 °C

2: toluene-4-sulfonic acid; 1,2-bis-(diphenylphosphino)ethane / carbonyl bis(hydrido)tris(triphenylphosphine)ruthenium(II) / toluene / 24 h / 111 °C / Inert atmosphere

With hydroxylamine hydrochloride; sodium acetate; toluene-4-sulfonic acid; 1,2-bis-(diphenylphosphino)ethane; carbonyl bis(hydrido)tris(triphenylphosphine)ruthenium(II); In ethanol; toluene;