4-bromo-5-methyl-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide

Base Information

Chemical Name:4-bromo-5-methyl-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide
CAS No.:113588-95-7
Molecular Formula:C₁₀H₁₂BrN₅O₂S
Molecular Weight:346.208
Hs Code.:
ChEMBL ID:CHEMBL308653
DSSTox Substance ID:DTXSID30875940
Nikkaji Number:J423.810I
Wikidata:Q82857430
Mol file:113588-95-7.mol

Synonyms:113588-95-7;4-Bromo-5-methyl-3-(1-methylethoxy)-N-(1H-tetrazole-5-yl)-2-thiophenecarboxamide;4-bromo-5-methyl-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide;CHEMBL308653;SCHEMBL9826224;DTXSID30875940;2-THIOPHENECARBOXAMIDE, 4-BROMO-5-METHYL-3-(1-ME

Suppliers and Price of 4-bromo-5-methyl-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide

Supply Marketing:

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

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Total 1 raw suppliers

Chemical Property of 4-bromo-5-methyl-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide

Chemical Property:

Melting Point:117 °C (decomp)
PKA:2.97±0.10(Predicted)
PSA：121.03000
Density:1.683±0.06 g/cm3(Predicted)
LogP:2.44460
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:344.98951
Heavy Atom Count:19
Complexity:335

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C(=C(S1)C(=O)NC2=NNN=N2)OC(C)C)Br

Technology Process of 4-bromo-5-methyl-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide

There total 5 articles about 4-bromo-5-methyl-3-propan-2-yloxy-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:

: 5556-22-9
methyl 3-hydroxy-5-methylthiophene-2-carboxylate

: 113588-95-7
4-Bromo-3-(1-methylethoxy)-5-methyl-N-1 H-tetrazol-5-yl-2-thiophenecarboxamide

Guidance literature:: Multi-step reaction with 4 steps

1: 66 percent / bromine, acetic acid / 16 h / Ambient temperature

2: 98 percent / acetonitrile / 24 h / Heating

3: 74 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; bromine; acetic acid; 1,1'-carbonyldiimidazole; In methanol; acetonitrile;
DOI:10.1021/jm00111a039

Reference yield:

: 113589-26-7
methyl 4-bromo-3-hydroxy-5-methyl-2-thiophenecarboxylate

: 113588-95-7
4-Bromo-3-(1-methylethoxy)-5-methyl-N-1 H-tetrazol-5-yl-2-thiophenecarboxamide

Guidance literature:: Multi-step reaction with 3 steps

1: 98 percent / acetonitrile / 24 h / Heating

2: 74 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:

: 4-Bromo-3-isopropoxy-5-methyl-thiophene-2-carboxylic acid methyl ester

: 113588-95-7
4-Bromo-3-(1-methylethoxy)-5-methyl-N-1 H-tetrazol-5-yl-2-thiophenecarboxamide

Guidance literature:: Multi-step reaction with 2 steps

1: 74 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