Synonym: 1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidine; Hhpp; TBD
CAS Number: 5807-14-7
Empirical Formula (Hill Notation): C7H13N3
Molecular Weight: 139.20
EC Number: 227-367-1
MDL Number: MFCD00043003
Linear Formula: C7H13N3
Product Type: Chemical
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ATR-IR Spectra for 1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidine.
FT-NMR Spectra for 1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidine.
| assay |
98% |
| form |
crystals |
| InChI |
1S/C7H13N3/c1-3-8-7-9-4-2-6-10(7)5-1/h1-6H2,(H,8,9) |
| InChI key |
FVKFHMNJTHKMRX-UHFFFAOYSA-N |
| mp |
125-130 °C (lit.) |
| Quality Level |
200  |
| SMILES string |
C1CNC2=NCCCN2C1 |
| solubility |
acetonitrile: soluble |
| |
ethanol: soluble |
| |
organic solvents: soluble |
| |
water: soluble |
| Application: |
1,5,7-Triazabicyclo[4.4.0]dec-5-ene may be used as organocatalyst for aminolysis of esters. It may be used as catalyst for direct addition of P(O)-H bonds (dialkyl phosphites and diphenyl phosphonite) across various activated alkenes. Polymer supported 1,5,7-triazabicyclo[4.4.0]dec-5-ene (PTBD) was used as a base and a reagent scavenger for the synthesis of aryl ethers from phenols and alkyl or aryl halides. |
| General description: |
1,5,7-Triazabicyclo[4.4.0]dec-5-ene, a bicyclic guanidine base, has been found to be an excellent catalyst for Michael and Michael-type reactions. It forms 1:1 complex with lasalocid acid and crystal structure of the complex has been studied by X-ray diffraction, FT-IR spectroscopy and 1H NMR. |
| Packaging: |
5 g in glass bottle |
| Purity |
98% |
| mp |
125-130 °C (lit.) |
| UNSPSC |
12352100 |