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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.

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
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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
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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
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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...
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...
ammonia
InChI=1S/H3N/h1H3
PubChem: 222
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Forget the gruesome imagery on packets of cigarettes in the UK, the health campaigns, the nanny state warnings. There are seven simple reasons not to smoke cigarettes from a chemist’s perspective, each one is present at harmful levels in cigarette smoke:Benzene...
carbon monoxide
InChI=1S/CO/c1-2
PubChem: 281
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Forget the gruesome imagery on packets of cigarettes in the UK, the health campaigns, the nanny state warnings. There are seven simple reasons not to smoke cigarettes from a chemist’s perspective, each one is present at harmful levels in cigarette smoke:Benzene...
acetone
InChI=1S/C3H6O/c1-3(2)4/h1-2H3
PubChem: 180
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Forget the gruesome imagery on packets of cigarettes in the UK, the health campaigns, the nanny state warnings. There are seven simple reasons not to smoke cigarettes from a chemist’s perspective, each one is present at harmful levels in cigarette smoke:Benzene...
formaldehyde
InChI=1S/CH2O/c1-2/h1H2
PubChem: 712
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Posts

I did a double take when I saw the most recent offer to land in my inbox: “a $20 Brazilian Blow Dry”. I quickly realised it was a hair treatment wholly unrelated to waxing or any kind of sexual activity, but my being less than cranially hirsute,...
Forget the gruesome imagery on packets of cigarettes in the UK, the health campaigns, the nanny state warnings. There are seven simple reasons not to smoke cigarettes from a chemist’s perspective, each one is present at harmful levels in cigarette smoke:Benzene...