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1,5,7-Triazabicyclo[4.4.0]dec-5-ene

ALDRICH/345571 - 98%

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
Catalog Number PKG Qty. Price Quantity
45-345571-5G 5 g
 $81.20
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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

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