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

CAS Number: 5807-14-7
Chemical Formula: C7H13N3
Synonyms:

LABOTEST-BB LT00847641
1,5,7-TRIAZABICYCLO[4.4.0]DEC-5-ENE
1,3,4,6,7,8-HEXAHYDRO-2H-PYRIMIDO[1,2-A]PYRIMIDINE

Appearance: White Powder

MOQ (Minimum Order Quantity): 1 FCL (Full Container Load)

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Product Details

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

1,5,7-Triazabicyclo[4.4.0]dec-5-ene (TBD) is a bicyclic guanidine that has found extensive application in organic chemistry, notably as a powerful catalyst for polymer synthesis and recycling, CO2 utilization, and carboxylic acid derivative synthesis. Bearing both a nucleophilic nitrogen and an electrophilic NH group, TBD is a multifunctional reagent. It can serve as an organic superbase, an acyl transfer reagent, and a hydrogen bonding activator. It is an excellent catalyst for Michael and Michael-type reactions. The readily available organocatalyst 1,5,7-triazabicyclo[4.4.0]dec-5-ene (TBD) was used for the rapid synthesis of 3-hydroxyisoindolin-1-ones from 3-alkylidenephthalides[1-2].

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

Melting point	125-130 °C(lit.)
Boiling point	222.3±23.0 °C(Predicted)
density	1.28±0.1 g/cm3(Predicted)
storage temp.	under inert gas (nitrogen or Argon) at 2–8 °C
solubility	toluene: soluble1 g/15 mL
form	powder to crystal
pka	14.47±0.20(Predicted)
color	White to Almost white
Water Solubility	acetonitrile: soluble ethanol: soluble organic solvents: soluble water: soluble
BRN	3242
InChI	InChI=1S/C7H13N3/c1-3-8-7-9-4-2-6-10(7)5-1/h1-6H2,(H,8,9)
InChIKey	FVKFHMNJTHKMRX-UHFFFAOYSA-N
SMILES	C12=NCCCN1CCCN2
CAS DataBase Reference	5807-14-7(CAS DataBase Reference)

Safety Information

Hazard Codes	C
Risk Statements	34
Safety Statements	26-36/37/39-45-27
RIDADR	UN 1759 8/PG 2
WGK Germany	3
F	9-21-34
TSCA	TSCA listed
HazardClass	8
PackingGroup	III
HS Code	29335990
Storage Class	8A - Combustible corrosive hazardous materials
Hazard Classifications	Skin Corr. 1B

Product Application of 1,5,7-Triazabicyclo[4.4.0]dec-5-ene CAS#5807-14-7

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.

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