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Name	1,8-Diazabicyclo[5.4.0]undec-7-ene	EINECS	229-713-7
CAS No.	6674-22-2	Density	1.12 g/cm³
PSA	15.60000	LogP	1.03810
Solubility	soluble in water	Melting Point	-70 °C
Formula	C₉H₁₆N₂	Boiling Point	274.6 °C at 760 mmHg
Molecular Weight	152.239	Flash Point	119.9 °C
Transport Information	UN 3267 8/PG 2	Appearance	Colorless to yellow liquid
Safety	26-36/37/39-45-61-27	Risk Codes	22-34-52/53-35
Molecular Structure		Hazard Symbols	C
Synonyms	1,8-Diaza-7-bicyclo[5.4.0]undecene;1,8-Diazabicyclo[5.4.0]undecene-7;2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine;Alcanpoudre DBU 70-3KG;Amicure DBUE;DBU;Dabco DBU;NSC 111184;NSC 230466;Polycat DBU;U-CAT SA 851;	Article Data	32

1,8-Diazabicyclo[5.4.0]undec-7-ene Synthetic route

: 107645-81-8
1-(2,3,4,6,7,8,9,10-Octahydro-pyrimido[1,2-a]azepin-10-yl)-1-phenyl-ethanol

A: 6674-22-2
1,8-diazabicyclo[5.4.0]undec-7-ene

B: 98-86-2
acetophenone

Conditions

Conditions	Yield
at 150℃; for 2h; Product distribution;	A n/a B 90%

: 107645-80-7
(2,3,4,6,7,8,9,10-Octahydro-pyrimido[1,2-a]azepin-10-yl)-diphenyl-methanol

A: 119-61-9
benzophenone

B: 6674-22-2
1,8-diazabicyclo[5.4.0]undec-7-ene

Conditions

Conditions	Yield
at 180℃; for 2h; Product distribution;	A 85% B n/a

: 78204-84-9
1,8-diazabicyclo<5.4.0>undec-7-ene hidrochloride

: 6674-22-2
1,8-diazabicyclo[5.4.0]undec-7-ene

Conditions

Conditions	Yield
With tri-n-propylamine; sodium methylate In methanol	85%

: 1,8-diazabicyclo[5.4.0]undec-7-ene hydrochloride

: 6674-22-2
1,8-diazabicyclo[5.4.0]undec-7-ene

Conditions

Conditions	Yield
With sodium hydroxide In water; toluene at 20℃; for 1h; Reagent/catalyst;	78.8%

: 109-97-7
pyrrole

: 1309041-52-8
methyl 1,8-diazabicyclo[5.4.0]undec-6-ene-8-carboxylate

A: 4277-63-8
methyl 1H-pyrrole-1-carboxylate

B: 6674-22-2
1,8-diazabicyclo[5.4.0]undec-7-ene

Conditions

Conditions	Yield
In chloroform-d1 at 19.84℃; for 56h;	A 78% B n/a

: 107645-82-9
(2,3,4,6,7,8,9,10-Octahydro-pyrimido[1,2-a]azepin-10-yl)-phenyl-methanol

A: 100-52-7
benzaldehyde

B: 6674-22-2
1,8-diazabicyclo[5.4.0]undec-7-ene

Conditions

Conditions	Yield
at 180℃; for 2h; Product distribution;	A 32% B n/a

: (Z)-1-(2,3,4,6,7,8,9,10-Octahydro-pyrimido[1,2-a]azepin-10-yl)-2-phenyl-ethenol

: 108-93-0
cyclohexanol

A: 42288-75-5
phenylacetic acid cyclohexyl ester

B: 6674-22-2
1,8-diazabicyclo[5.4.0]undec-7-ene

Conditions

Conditions	Yield
In diethylene glycol dimethyl ether for 24h; Product distribution; Mechanism; Heating;	A 14% B n/a

: 67-56-1
methanol

: (Z)-1-(2,3,4,6,7,8,9,10-Octahydro-pyrimido[1,2-a]azepin-10-yl)-2-phenyl-ethenol

A: 6674-22-2
1,8-diazabicyclo[5.4.0]undec-7-ene

B: 101-41-7
benzeneacetic acid methyl ester

Conditions

Conditions	Yield
for 65h; Product distribution; Mechanism; Heating;	A n/a B 6%

: C9H16N2*C8H7N2O4(1-)*H(1+)

A: 29342-38-9
1-nitro-1-(4-nitrophenyl)ethane

B: 6674-22-2
1,8-diazabicyclo[5.4.0]undec-7-ene

Conditions

Conditions	Yield
In toluene at 20℃; Kinetics; Equilibrium constant; Thermodynamic data; other temperatures, other solvent, ΔH (excit.), ΔS(excit.);

: C9H16N2*C7H4N3O6(1-)*H(1+)

A: 118-96-7
2,4,6-Trinitrotoluene

B: 6674-22-2
1,8-diazabicyclo[5.4.0]undec-7-ene

Conditions

Conditions	Yield
In acetonitrile at 25℃; Rate constant; different solvents;

1,8-Diazabicyclo[5.4.0]undec-7-ene Chemical Properties

Molecular Structure:

Molecular Formula: C₉H₁₆N₂
Molecular Weight: 152.2367
IUPAC Name: 2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine
Synonyms of DBU: 1,5-Diazabicyclo(5.4.0)undec-5-ene ; 2,3,4,6,7,8,9,10-Octahydropyrimido(1,2-alpha)azepine ; DBU ; EINECS 229-713-7 ; NSC 111184 ; Pyrimido(1,2-a)azepine, 2,3,4,6,7,8,9,10-octahydro-
CAS NO: 6674-22-2
Product Categories: pharmacetical ; Pyridines ; Other Reagents ; Biochemistry ; Reagents for Oligosaccharide Synthesis ; Biochemics
Melting point: -70 °C
Index of Refraction: 1.591
Molar Refractivity: 45.93 cm³
Molar Volume: 135.7 cm³
Surface Tension: 42.2 dyne/cm
Density: 1.12 g/cm³
Flash Point: 119.9 °C
Enthalpy of Vaporization: 51.3 kJ/mol
Boiling Point: 274.6 °C at 760 mmHg
Vapour Pressure: 0.00536 mmHg at 25 °C

1,8-Diazabicyclo[5.4.0]undec-7-ene Uses

DBU (CAS NO.6674-22-2) is used in organic synthesis as a catalyst and complexing ligand and non-nucleophilic base.

1,8-Diazabicyclo[5.4.0]undec-7-ene Safety Profile

Hazard Codes of DBU (CAS NO.6674-22-2): Corrosive C
Risk Statements: 22-34-52/53-35
R22:Harmful if swallowed.
R34: Causes burns.
R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R35: Causes severe burns.
Safety Statements: 26-36/37/39-45-61-27
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S61: Avoid release to the environment. Refer to special instructions / safety data sheets.
S27: Take off immediately all contaminated clothing.
RIDADR: UN 3267 8/PG 2
WGK Germany: 2
F: 34
HazardClass: 8
PackingGroup: II
HS Code: 29339930

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