4,5-Dibromo-1-methyl-3-[(propan-2-yl)oxy]-N-(2H-tetrazol-5-yl)-1H-pyrrole-2-carboxamide

Base Information

Chemical Name:4,5-Dibromo-1-methyl-3-[(propan-2-yl)oxy]-N-(2H-tetrazol-5-yl)-1H-pyrrole-2-carboxamide
CAS No.:113589-14-3
Molecular Formula:C₁₀H₁₂Br₂N₆O₂
Molecular Weight:408.052
Hs Code.:
ChEMBL ID:CHEMBL305750
DSSTox Substance ID:DTXSID20556731
Nikkaji Number:J423.821D
Wikidata:Q82438401
Mol file:113589-14-3.mol

Synonyms:113589-14-3;4,5-Dibromo-1-methyl-3-(1-methylethoxy)-N-(1H-tetrazole-5-yl)-1H-pyrrole-2-carboxamide;4,5-dibromo-1-methyl-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)pyrrole-2-carboxamide;OIRPUTYMVDSHSD-UHFFFAOYSA-N;CHEMBL305750;SCHEMBL9825946;DTXSID20556731;4,5-Dibromo-1-methyl-3-[(propan-2-yl)oxy]-N-(2H-tetrazol-5-yl)-1H-pyrrole-2-carboxamide;4,5-Dibromo-3-(1-methylethoxy)-1-methyl-N-1H-tetrazol-5-yl-1H-pyrrole-2-carboxamide

Suppliers and Price of 4,5-Dibromo-1-methyl-3-[(propan-2-yl)oxy]-N-(2H-tetrazol-5-yl)-1H-pyrrole-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-1-methyl-3-[(propan-2-yl)oxy]-N-(2H-tetrazol-5-yl)-1H-pyrrole-2-carboxamide

Chemical Property:

PSA：101.21000
LogP:2.48670
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:407.93680
Heavy Atom Count:20
Complexity:361

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 4,5-Dibromo-1-methyl-3-[(propan-2-yl)oxy]-N-(2H-tetrazol-5-yl)-1H-pyrrole-2-carboxamide

There total 6 articles about 4,5-Dibromo-1-methyl-3-[(propan-2-yl)oxy]-N-(2H-tetrazol-5-yl)-1H-pyrrole-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:

: 113602-62-3
methyl 3-hydroxy-1-methyl-1H-pyrrole-2-yl-carboxylate

: 113589-14-3
4,5-dibromo-3-(1-methylethoxy)-1-methyl-N-1H-tetrazol-5-yl-1 H-pyrrole-2-carboxamide

Guidance literature:: Multi-step reaction with 4 steps

1: 68 percent / bromine, acetic acid / 2 h / Ambient temperature

2: 33 percent / potassium tert-butoxide / dimethylsulfoxide / 20 h / Ambient temperature

3: 96 percent / 1 N aq. NaOH / methanol / 3 h / Heating

4: 1.) 1,1'-carbonyldiimidazole (CDI) / 1.) THF, reflux, 1.5 h, 2.) THF, reflux, 2.5 h

With sodium hydroxide; potassium tert-butylate; bromine; acetic acid; 1,1'-carbonyldiimidazole; In methanol; dimethyl sulfoxide;
DOI:10.1021/jm00111a039

Reference yield:

: 113602-65-6
methyl 4,5-dibromo-3-hydroxy-1-methyl-1H-pyrrole-2-carboxylate

: 113589-14-3
4,5-dibromo-3-(1-methylethoxy)-1-methyl-N-1H-tetrazol-5-yl-1 H-pyrrole-2-carboxamide

Guidance literature:: Multi-step reaction with 3 steps

1: 33 percent / potassium tert-butoxide / dimethylsulfoxide / 20 h / Ambient temperature

2: 96 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; potassium tert-butylate; 1,1'-carbonyldiimidazole; In methanol; dimethyl sulfoxide;
DOI:10.1021/jm00111a039

Reference yield:

: 113602-69-0
Methyl 4,5-dibromo-3-(1-methylethoxy)-1-methyl-1 H-pyrrole-2-carboxylate

: 113589-14-3
4,5-dibromo-3-(1-methylethoxy)-1-methyl-N-1H-tetrazol-5-yl-1 H-pyrrole-2-carboxamide

Guidance literature:: Multi-step reaction with 2 steps

1: 96 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