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5807-14-7

5807-14-7 | 1,5,7-Triazabicyclo[4.4.0]dec-5-ene

CAS No: 5807-14-7 Catalog No: AG0038MA MDL No:MFCD00043003

Product Description

Catalog Number:
AG0038MA
Chemical Name:
1,5,7-Triazabicyclo[4.4.0]dec-5-ene
CAS Number:
5807-14-7
Molecular Formula:
C7H13N3
Molecular Weight:
139.1982
MDL Number:
MFCD00043003
IUPAC Name:
3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
InChI:
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
SMILES:
C1CNC2=NCCCN2C1
EC Number:
227-367-1

Properties

Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.111g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
139.202g/mol
Monoisotopic Mass:
139.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  

Literature

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One-pot synthesis of trichloromethyl carbinols from primary alcohols. The Journal of organic chemistry 20120518
A hydrogen-bridged adduct 3,4,6,7,8,9-hexa-hydro-2H-pyrimido[1,2-a]pyrimidin-1-ium [1,3-bis-(tert-butyl-dimethyl-sil-yloxy)-1,3-bis-(pyridin-2-yl)propan-2-yl-idene]nitro-nate acetonitrile monosolvate. Acta crystallographica. Section E, Structure reports online 20110901
X-ray crystallographic, FT-IR, and density functional theory studies of the salt formed between dipicrylamine and 1,5,7-triazabicyclo[4.4.0]dec-1-ene. The journal of physical chemistry. A 20110804
Direct aldol reactions catalyzed by a heterogeneous guanidinium salt/proline system under solvent-free conditions. Organic letters 20110617
Theoretical mechanistic study of the TBD-catalyzed intramolecular aldol reaction of ketoaldehydes. The Journal of organic chemistry 20100716
Catalytic coupling of CO2 with epoxide over supported and unsupported amines. The journal of physical chemistry. A 20100325
Coordination of neutral, methylene bridged bis-guanidyls at palladium. Dalton transactions (Cambridge, England : 2003) 20100214
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A structural, theoretical and coordinative evaluation of the bicyclic guanidinate derived from 1,4,6-triazabicyclo[3.3.0]oct-4-ene. Dalton transactions (Cambridge, England : 2003) 20080828
On the performance of ligand field molecular mechanics for model complexes containing the peroxido-bridged [Cu2O2]2+ center. Inorganic chemistry 20080407
Structure and vibrational spectrum of the hydrogen-bonded system between 4-tert-butylphenol and N-bases: Ab initio and DFT studies. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20080201
A Lewis-basic, dionio-substituted phosphane. Chemical communications (Cambridge, England) 20071228
Dinuclear and tetranuclear gold-nitrogen complexes. Solvent influences on oxidation and nuclearity of gold guanidinate derivatives. Inorganic chemistry 20071224
Nucleophilic activity of a linked bis{guanidine} leading to formation of a dicationic C4N4-heterocycle. Organic & biomolecular chemistry 20071221
The mechanism of TBD-catalyzed ring-opening polymerization of cyclic esters. The Journal of organic chemistry 20071207
Theoretical study of the structures and vibrational spectra of the hydrogen-bonded systems of 4-cyanophenol with N-bases. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20071101
Triazabicyclodecene: an effective isotope exchange catalyst in CDCl(3). The Journal of organic chemistry 20070622
Stepwise nucleophilic substitution of manganocene, syntheses and structures of the dimer [CpMn(hpp)]2 and the unusual manganate cage [LiMn(hpp)3]2 (hppH = 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2,a]pyrimidine). Dalton transactions (Cambridge, England : 2003) 20070428
Encapsulation of hydride by molecular main group metal clusters: manipulating the source and coordination sphere of the interstitial ion. Dalton transactions (Cambridge, England : 2003) 20061221
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Triazabicyclodecene: a simple bifunctional organocatalyst for acyl transfer and ring-opening polymerization of cyclic esters. Journal of the American Chemical Society 20060412
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