Global InformationTriazabicyclodecene information
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| Names | |||
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| Preferred IUPAC name
1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidine | |||
| Other names
1,5,7-Triazabicyclo[4.4.0]dec-5-ene
TBD Hexahydropyrimidopyrimidine hpp | |||
| Identifiers | |||
CAS Number
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3D model (JSmol)
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| ChemSpider |
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| ECHA InfoCard | 100.024.880 | ||
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PubChem CID
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CompTox Dashboard (EPA)
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InChI
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SMILES
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| Properties | |||
Chemical formula
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C7H13N3 | ||
| Molar mass | 139.20 g/mol | ||
| Melting point | 125 to 130 °C (257 to 266 °F; 398 to 403 K) | ||
| Acidity (pKa) | 15.2 ± 1.0[2] (pKa of conjugate acid in water); 26.03[3] (pKa of conjugate acid in acetonitrile) | ||
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Pictograms
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Signal word
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Danger | ||
Hazard statements
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H314 | ||
Precautionary statements
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P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501 | ||
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references
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Triazabicyclodecene (1,5,7-triazabicyclo[4.4.0]dec-5-ene or TBD) is an organic compound consisting of a bicyclic guanidine. For a charge-neutral compound, it is a relatively strong base that is effective for a variety of organic transformations. TBD is colorless solid that is soluble in a variety of solvents.[4]
- ^ 1,5,7-Triazabicyclo[4.4.0]dec-5-ene at Sigma-Aldrich
- ^ Kaupmees, K.; Trummal, A.; Leito, I. (2014). "Basicities of Strong Bases in Water: A Computational Study". Croat. Chem. Acta. 87 (4): 385–395. doi:10.5562/cca2472.
- ^ Kaljurand, I.; Kütt, A.; Sooväli, L.; Rodima, T.; Mäemets, V.; Leito, I.; Koppel, I. A. (2005). "Extension of the Self-Consistent Spectrophotometric Basicity Scale in Acetonitrile to a Full Span of 28 pKa Units: Unification of Different Basicity Scales". J. Org. Chem. 70 (3): 1019–1028. doi:10.1021/jo048252w. PMID 15675863.
- ^ Huczynski, Adam; Brzezinski, Bogumil (2008). "1,5,7-Triazabicyclo[4.4.0]dec-5-ene". e-EROS Encyclopedia of Reagents for Organic Synthesis. John Wiley & Sons. doi:10.1002/047084289X.rn00786. ISBN 978-0-471-93623-7.