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Basic Information
CAS No.: 6674-22-2
Name: 1,8-Diazabicyclo[5.4.0]undec-7-ene
Article Data: 32
Molecular Structure:
Molecular Structure of 6674-22-2 (1,8-Diazabicyclo[5.4.0]undec-7-ene)
Formula: C9H16N2
Molecular Weight: 152.239
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;
EINECS: 229-713-7
Density: 1.12 g/cm3
Melting Point: -70 °C
Boiling Point: 274.6 °C at 760 mmHg
Flash Point: 119.9 °C
Solubility: soluble in water
Appearance: Colorless to yellow liquid
Hazard Symbols: CorrosiveC
Risk Codes: 22-34-52/53-35
Safety: 26-36/37/39-45-61-27
Transport Information: UN 3267 8/PG 2
PSA: 15.60000
LogP: 1.03810
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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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With tri-n-propylamine; sodium methylate In methanol85%

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

6674-22-2

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

Conditions
ConditionsYield
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
ConditionsYield
In chloroform-d1 at 19.84℃; for 56h;A 78%
B n/a
...Expand
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
ConditionsYield
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
ConditionsYield
In diethylene glycol dimethyl ether for 24h; Product distribution; Mechanism; Heating;A 14%
B n/a
...Expand
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
ConditionsYield
for 65h; Product distribution; Mechanism; Heating;A n/a
B 6%
...Expand

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
ConditionsYield
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
ConditionsYield
In acetonitrile at 25℃; Rate constant; different solvents;
Raw Materials
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  • 1,8-Diazabicyclo[5.4.0]undec-7-ene CAS: 6674-22-2

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Chemistry

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

Uses

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

Safety Profile

Hazard Codes of DBU (CAS NO.6674-22-2): CorrosiveC
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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