345571
1,5,7-Triazabicyclo[4.4.0]dec-5-ene
98%
Synonym(s):
1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidine, Hhpp, TBD
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About This Item
Empirical Formula (Hill Notation):
C7H13N3
CAS Number:
Molecular Weight:
139.20
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
227-367-1
Beilstein/REAXYS Number:
3242
MDL number:
Assay:
98%
Form:
crystals
assay
98%
form
crystals
mp
125-130 °C (lit.)
solubility
acetonitrile: soluble, ethanol: soluble, organic solvents: soluble, water: soluble
SMILES string
C1CNC2=NCCCN2C1
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
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.
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.
signalword
Danger
Storage Class
8A - Combustible corrosive hazardous materials
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Aquatic Chronic 3 - Eye Dam. 1 - Skin Corr. 1A
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