2,5-Dimethylpyrrole - CAS 625-84-3
Catalog: |
BB031671 |
Product Name: |
2,5-Dimethylpyrrole |
CAS: |
625-84-3 |
Synonyms: |
2,5-dimethyl-1H-pyrrole |
IUPAC Name: | 2,5-dimethyl-1H-pyrrole |
Description: | 2,5-Dimethylpyrrole (CAS# 625-84-3) is a useful research chemical used in the synthesis of 5-Amino-3-[(N-methyl- pyrrolidin-2(R)-yl)methyl]indole as an amino protecting group. |
Molecular Weight: | 95.14 |
Molecular Formula: | C6H9N |
Canonical SMILES: | CC1=CC=C(N1)C |
InChI: | InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3 |
InChI Key: | PAPNRQCYSFBWDI-UHFFFAOYSA-N |
Boiling Point: | 165 °C (740 mmHg) |
Melting Point: | 7.7 °C |
Purity: | > 98.0 % (GC) |
Density: | 0.935 g/cm3 |
Solubility: | 6704 mg/L at 25 °C (est) |
Appearance: | Clear yellow to orange-brown liquid |
MDL: | MFCD00005223 |
LogP: | 1.63150 |
Vapor Pressure: | 0.8 [mmHg] |
GHS Hazard Statement: | H226 (99.81%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P310, P303+P361+P353, P321, P330, P370+P378, P403+P235, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
21902275 | 20111104 | Direct functionalization of (un)protected tetrahydroisoquinoline and isochroman under iron and copper catalysis: two metals, two mechanisms | The Journal of organic chemistry |
21674111 | 20110821 | Hydrogen-bonded structures for self-aggregates of 2,5-dimethylpyrrole and its binary clusters with pyrrole studied by IR cavity ringdown spectroscopy | Physical chemistry chemical physics : PCCP |
20690769 | 20100816 | Ligand substitution from the (eta5-DMP)Mn(CO)2(Solv) [DMP = 2,5-dimethylpyrrole, Solv = solvent] complexes: to ring slip or not to ring slip? | Inorganic chemistry |
19895010 | 20091107 | Comparison of the resonance-enhanced multiphoton ionization spectra of pyrrole and 2,5-dimethylpyrrole: Building toward an understanding of the electronic structure and photochemistry of porphyrins | The Journal of chemical physics |
21582868 | 20090617 | 2,2',5,5'-Tetra-methyl-1,1'-(hexane-1,6-di-yl)di-1H-pyrrole | Acta crystallographica. Section E, Structure reports online |
Complexity: | 53.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 95.073499291 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 95.073499291 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 15.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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