4,5-Dibromo-3-[(propan-2-yl)oxy]-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide

Base Information

Chemical Name:4,5-Dibromo-3-[(propan-2-yl)oxy]-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide
CAS No.:113588-97-9
Molecular Formula:C₉H₉Br₂N₅O₂S
Molecular Weight:411.077
Hs Code.:
ChEMBL ID:CHEMBL71892
DSSTox Substance ID:DTXSID50556729
Nikkaji Number:J423.814A
Wikidata:Q82438398
Mol file:113588-97-9.mol

Synonyms:113588-97-9;4,5-Dibromo-3-(1-methylethoxy)-N-(1H-tetrazole-5-yl)-2-thiophenecarboxamide;4,5-dibromo-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide;CHEMBL71892;SCHEMBL9826617;DTXSID50556729;4,5-Dibromo-3-[(propan-2-yl)oxy]-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide

Suppliers and Price of 4,5-Dibromo-3-[(propan-2-yl)oxy]-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide

Supply Marketing:

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

Manufacturers and distributors:

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Total 1 raw suppliers

Chemical Property of 4,5-Dibromo-3-[(propan-2-yl)oxy]-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide

Chemical Property:

PSA：124.52000
LogP:3.20970
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:410.88232
Heavy Atom Count:19
Complexity:338

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)OC1=C(SC(=C1Br)Br)C(=O)NC2=NNN=N2

Technology Process of 4,5-Dibromo-3-[(propan-2-yl)oxy]-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide

There total 4 articles about 4,5-Dibromo-3-[(propan-2-yl)oxy]-N-(2H-tetrazol-5-yl)thiophene-2-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:

: 96232-71-2
4,5-dibromo-3-hydroxythiophene-2-carboxylic acid methyl ester

: 113588-97-9
4,5-Dibromo-3-(1-methylethoxy)-N-1 H-tetrazol-5-yl-2-thiophenecarboxamide

Guidance literature:: Multi-step reaction with 3 steps

1: 76 percent / acetonitrile / 24 h / Heating

2: 87 percent / 1 N aq. NaOH / methanol / 3 h / Heating

3: 1.) 1,1'-carbonyldiimidazole (CDI) / 1.) THF, reflux, 1.5 h, 2.) THF, reflux, 2.5 h

With sodium hydroxide; 1,1'-carbonyldiimidazole; In methanol; acetonitrile;
DOI:10.1021/jm00111a039

Reference yield:

: 113589-46-1
4,5-Dibromo-3-isopropoxy-thiophene-2-carboxylic acid methyl ester

: 113588-97-9
4,5-Dibromo-3-(1-methylethoxy)-N-1 H-tetrazol-5-yl-2-thiophenecarboxamide

Guidance literature:: Multi-step reaction with 2 steps

1: 87 percent / 1 N aq. NaOH / methanol / 3 h / Heating

2: 1.) 1,1'-carbonyldiimidazole (CDI) / 1.) THF, reflux, 1.5 h, 2.) THF, reflux, 2.5 h

With sodium hydroxide; 1,1'-carbonyldiimidazole; In methanol;
DOI:10.1021/jm00111a039

Reference yield:

: 4418-61-5
5-aminotetrazole

: 113589-61-0
4,5-Dibromo-3-isopropoxy-thiophene-2-carboxylic acid

: 113588-97-9
4,5-Dibromo-3-(1-methylethoxy)-N-1 H-tetrazol-5-yl-2-thiophenecarboxamide

Guidance literature:: With 1,1'-carbonyldiimidazole; Yield given. Multistep reaction; 1.) THF, reflux, 1.5 h, 2.) THF, reflux, 2.5 h;
DOI:10.1021/jm00111a039