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To have your blog items show up on this page, use the semantic markup for InChI's and SMILES, using microformats or RDFa. For example, write <span class="chem:smiles">CCCOC<span> instead of just CCCOC, or <span class="chem:inchi">InChI=1/bla<span> instead of InChI=1/bla.

dimethylformamide
InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)
PubChem: 6228
[CML][RDF]

Posts

A procedure for the synthesis of 1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde by Vilsmeier-Haack formylation of 1-(4-Fluoro-phenyl)-2,5-dimethyl-1H-pyrrole.DMF (5.0 mL) was stirred under a nitrogen atmosphere in an ice-bath. Phosphoryl chloride...
Oxidation of aldehyde to acid using Oxone (Potassium peroxymonosulfate).Reactions start time: 1600 EST 30/08/11PMY 2-3 (100 mg, 0.46 mmol, 1 equiv.) was dissolved in DMF (5 mL, 0.09 M). Oxone (105 mg, 0.69 mmol, 1.5 equiv.) was added. TLC at 60 mins and 16.5...
Formylation of 1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrole obtained in experiment PMY 1-4 .Experiment start time: 13.20 EST 22/08/11DMF (1.00 mL, 14.4 mmol, 14.4 equiv.) was stirred under a nitrogen atmosphere in an ice-bath. Phosphoryl chloride (0.12 mL, 1.3...
Scale up of PMY 2-2 to 10.5 mmol scale.Experiment start time: 1433 EST 29/08/11DMF (5.0 mL) was stirred under a nitrogen atmosphere in an ice-bath. Phosphoryl chloride (1.18 mL, 12.7 mmol, 1.2 equiv.) was added and the reaction stirred for 35 minutes. Reaction...
phosphoryl chloride
InChI=1S/Cl3OP/c1-5(2,3)4
PubChem: 24813
[CML][RDF]

Posts

A procedure for the synthesis of 1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde by Vilsmeier-Haack formylation of 1-(4-Fluoro-phenyl)-2,5-dimethyl-1H-pyrrole.DMF (5.0 mL) was stirred under a nitrogen atmosphere in an ice-bath. Phosphoryl chloride...
Formylation of 1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrole obtained in experiment PMY 1-4 .Experiment start time: 13.20 EST 22/08/11DMF (1.00 mL, 14.4 mmol, 14.4 equiv.) was stirred under a nitrogen atmosphere in an ice-bath. Phosphoryl chloride (0.12 mL, 1.3...
Scale up of PMY 2-2 to 10.5 mmol scale.Experiment start time: 1433 EST 29/08/11DMF (5.0 mL) was stirred under a nitrogen atmosphere in an ice-bath. Phosphoryl chloride (1.18 mL, 12.7 mmol, 1.2 equiv.) was added and the reaction stirred for 35 minutes. Reaction...
InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56

Posts

Summer can be hot, and many people cool down by jumping in nearby lakes and rivers. However, thats also where millions of microbes like to play: as reported by multiple news outlets, the third 2011 US death has now been attributed to what the popular press...
vemurafenib
InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
PubChem: 42611257
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Posts

ATC code: L01XE15Wikipedia: Vemurafenib On the August 17th 2011, the FDA approved Vemurafenib (trade name:Zelboraf TM Research code: PLX-4032, RG-7204 and RO-5185426), a BRAF kinase inhibitor for the treatment of patients with unresectable or metastatic...
citric acid
InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
PubChem: 311
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Scale up of PMY 1-4 from 3 mmol to 20 mmol scale.Experiment start time: 1751 EST 22/08/114-fluoroaniline (2.10 mL, 22.2 mmol, 1.1 equiv.) and 2,5-hexanedione (2.30 mL, 20.7 mmol, 1 equiv.) were heated to 130 C (oil bath temp.). After 14 hours (0805 EST) the...
hexane-2,5-dione
InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3
PubChem: 8035
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Posts

See also: Paal-Knorr Synthesis of 1-aryl-2,5-dimethyl Pyrrole Core (PMY 1-1)Paal-Knorr Synthesis of 1-aryl-2,5-dimethyl Pyrrole Core (PMY 1-2)Experiment start time: 11.55 EST 18/08/20114-fluoroaniline (94.7 L, 1 mmol, 1 equiv.) and 2,5-hexanedione (117.3 L,...
Scale up of PMY 1-4 from 3 mmol to 20 mmol scale.Experiment start time: 1751 EST 22/08/114-fluoroaniline (2.10 mL, 22.2 mmol, 1.1 equiv.) and 2,5-hexanedione (2.30 mL, 20.7 mmol, 1 equiv.) were heated to 130 C (oil bath temp.). After 14 hours (0805 EST) the...
Synthesis of the core pyrrole of TCMDC-123794 and TCMDC-123812 from the GSK Tres Cantos antimalarial dataset listed in ChEMBLdb NTD databaseCondensation of 4-fluoroaniline and 2,5-hexanedione to form 1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrole.Experiment start...
dimethylformamide
InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)
PubChem: 6228
[CML][RDF]

Posts

A procedure for the synthesis of 1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde by Vilsmeier-Haack formylation of 1-(4-Fluoro-phenyl)-2,5-dimethyl-1H-pyrrole.DMF (5.0 mL) was stirred under a nitrogen atmosphere in an ice-bath. Phosphoryl chloride...
Oxidation of aldehyde to acid using Oxone (Potassium peroxymonosulfate).Reactions start time: 1600 EST 30/08/11PMY 2-3 (100 mg, 0.46 mmol, 1 equiv.) was dissolved in DMF (5 mL, 0.09 M). Oxone (105 mg, 0.69 mmol, 1.5 equiv.) was added. TLC at 60 mins and 16.5...
Formylation of 1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrole obtained in experiment PMY 1-4 .Experiment start time: 13.20 EST 22/08/11DMF (1.00 mL, 14.4 mmol, 14.4 equiv.) was stirred under a nitrogen atmosphere in an ice-bath. Phosphoryl chloride (0.12 mL, 1.3...
Scale up of PMY 2-2 to 10.5 mmol scale.Experiment start time: 1433 EST 29/08/11DMF (5.0 mL) was stirred under a nitrogen atmosphere in an ice-bath. Phosphoryl chloride (1.18 mL, 12.7 mmol, 1.2 equiv.) was added and the reaction stirred for 35 minutes. Reaction...
phosphoryl chloride
InChI=1S/Cl3OP/c1-5(2,3)4
PubChem: 24813
[CML][RDF]

Posts

A procedure for the synthesis of 1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde by Vilsmeier-Haack formylation of 1-(4-Fluoro-phenyl)-2,5-dimethyl-1H-pyrrole.DMF (5.0 mL) was stirred under a nitrogen atmosphere in an ice-bath. Phosphoryl chloride...
Formylation of 1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrole obtained in experiment PMY 1-4 .Experiment start time: 13.20 EST 22/08/11DMF (1.00 mL, 14.4 mmol, 14.4 equiv.) was stirred under a nitrogen atmosphere in an ice-bath. Phosphoryl chloride (0.12 mL, 1.3...
Scale up of PMY 2-2 to 10.5 mmol scale.Experiment start time: 1433 EST 29/08/11DMF (5.0 mL) was stirred under a nitrogen atmosphere in an ice-bath. Phosphoryl chloride (1.18 mL, 12.7 mmol, 1.2 equiv.) was added and the reaction stirred for 35 minutes. Reaction...
hexane-2,5-dione
InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3
PubChem: 8035
[CML][RDF]

Posts

See also: Paal-Knorr Synthesis of 1-aryl-2,5-dimethyl Pyrrole Core (PMY 1-1)Paal-Knorr Synthesis of 1-aryl-2,5-dimethyl Pyrrole Core (PMY 1-2)Experiment start time: 11.55 EST 18/08/20114-fluoroaniline (94.7 L, 1 mmol, 1 equiv.) and 2,5-hexanedione (117.3 L,...
Scale up of PMY 1-4 from 3 mmol to 20 mmol scale.Experiment start time: 1751 EST 22/08/114-fluoroaniline (2.10 mL, 22.2 mmol, 1.1 equiv.) and 2,5-hexanedione (2.30 mL, 20.7 mmol, 1 equiv.) were heated to 130 C (oil bath temp.). After 14 hours (0805 EST) the...
Synthesis of the core pyrrole of TCMDC-123794 and TCMDC-123812 from the GSK Tres Cantos antimalarial dataset listed in ChEMBLdb NTD databaseCondensation of 4-fluoroaniline and 2,5-hexanedione to form 1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrole.Experiment start...
hexane-2,5-dione
InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3
PubChem: 8035
[CML][RDF]

Posts

See also: Paal-Knorr Synthesis of 1-aryl-2,5-dimethyl Pyrrole Core (PMY 1-1)Paal-Knorr Synthesis of 1-aryl-2,5-dimethyl Pyrrole Core (PMY 1-2)Experiment start time: 11.55 EST 18/08/20114-fluoroaniline (94.7 L, 1 mmol, 1 equiv.) and 2,5-hexanedione (117.3 L,...
Scale up of PMY 1-4 from 3 mmol to 20 mmol scale.Experiment start time: 1751 EST 22/08/114-fluoroaniline (2.10 mL, 22.2 mmol, 1.1 equiv.) and 2,5-hexanedione (2.30 mL, 20.7 mmol, 1 equiv.) were heated to 130 C (oil bath temp.). After 14 hours (0805 EST) the...
Synthesis of the core pyrrole of TCMDC-123794 and TCMDC-123812 from the GSK Tres Cantos antimalarial dataset listed in ChEMBLdb NTD databaseCondensation of 4-fluoroaniline and 2,5-hexanedione to form 1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrole.Experiment start...