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359505 Sigma-Aldrich

7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene

98%

Synonym: 1,3,4,6,7,8-Hexahydro-1-methyl-2H-pyrimido[1,2-a]pyrimidine, MTBD

  • CAS Number 84030-20-6

  • Empirical Formula (Hill Notation) C8H15N3

  • Molecular Weight 153.22

  •  Beilstein/REAXYS Number 7635759

  •  EC Number 281-791-1

  •  MDL number MFCD00043004

  •  PubChem Substance ID 24862083

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, N-Containing, Other Heterocyclic Building Blocks More...
Quality Level   200
assay   98%
refractive index   n20/D 1.537 (lit.)
bp   75-79 °C/0.1 mmHg (lit.)
density   1.067 g/mL at 25 °C (lit.)
SMILES string   CN1CCCN2CCCN=C12
InChI   1S/C8H15N3/c1-10-5-3-7-11-6-2-4-9-8(10)11/h2-7H2,1H3
InChI key   OEBXWWBYZJNKRK-UHFFFAOYSA-N

Description

General description

7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene is a soluble amine base. It forms 1:1 complexes with 4-nitrophenyl[bis(diethylsulfonyl)]methane and phenyl[bis(diethylsulfonyl)]methane and their structures have been studied by FT-IR, 1H NMR and PM5 semiempirical methods. Catalytic performance of 7-methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene for the transesterification of rapseed oil with methanol has been investigated.

Application

7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene may be used in microwave-promoted, palladium-catalyzed C-N bond-forming reactions with aryl/heteroaryl nonaflates and amines. It may be used as strong base to investigate the podand solvents, tris(oxaalkyl)phenylsilanes and tris(oxaalkyl)phosphates.

Packaging

1, 5 mL in glass bottle

Safety & Documentation

Safety Information

Symbol 
GHS05  GHS05
Signal word 
Danger
Hazard statements 
Precautionary statements 
RIDADR 
UN 3267 8 / PGII
WGK Germany 
WGK 3

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Protocols & Articles

Articles

Deoxyfluorination with 2-Pyridinesulfonyl Fluoride (PyFluor)

The prevalence of organofluorine compounds in industry and drug design necessitates the ability to introduce C–F bonds to molecules. Deoxyfluorination of alcohols is a well-precedented technique for ...
Keywords: Eliminations, Fluorinations, Melting, Purification, Solvents

Peer-Reviewed Papers
15

References

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