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

Name
1,8-Diazabicyclo[5.4.0]undec-7-ene
EINECS 229-713-7
CAS No. 6674-22-2
Article Data32
CAS DataBase
Density 1.12 g/cm³
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;
PSA 15.60000
LogP 1.03810

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

...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

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

...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

Conditions	Yield
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

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;

: C9H16(2)HN2(1+)*C7H2(2)H2N3O6(1-)

A: 52886-05-2
2,4,6-trinitro(α,αα-D3)toluene

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

Conditions

Conditions	Yield
In 1,2-dichloro-ethane at 25℃; Rate constant;

: 2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ylium; bromide

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

Conditions

Conditions	Yield
With amberlite IRA 400 (OH(-)) In methanol

: 674303-37-8
N-(3-azidopropyl)-ε-caprolactam

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

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: oxalyl bromide / 1,2-dichloro-ethane / 7 h / 0 - 25 °C 2: anisole; MeOH / 1,2-dichloro-ethane / 0.5 h / 25 °C 3: amberlite IRA 400 (OH(-)) / methanol View Scheme

: 1-bromo-2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ylium; bromide

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: anisole; MeOH / 1,2-dichloro-ethane / 0.5 h / 25 °C 2: amberlite IRA 400 (OH(-)) / methanol View Scheme

: 105-60-2
caprolactam

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

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: NaH / tetrahydrofuran / 0.5 h / 20 °C 1.2: tetrabutylammonium iodide / tetrahydrofuran / 20 °C 2.1: oxalyl bromide / 1,2-dichloro-ethane / 7 h / 0 - 25 °C 3.1: anisole; MeOH / 1,2-dichloro-ethane / 0.5 h / 25 °C 4.1: amberlite IRA 400 (OH(-)) / methanol View Scheme

: C25H26N2O2

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

B: 5381-33-9
2-benzylidene-indan-1,3-dione

Conditions

Conditions	Yield
In acetonitrile at 20℃; Equilibrium constant; Further Variations:; concentrations;

A: 15795-54-7
5-(4-methoxybenzylidene)-2,2-dimethyl-[1,3]dioxane-4,6-dione

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

Conditions

Conditions	Yield
In acetonitrile at 20℃; Equilibrium constant; Further Variations:; concentrations;

: C23H30N4O4

A: 57270-82-3
5-(4-methoxy-benzylidene)-1,3-dimethyl-pyrimidine-2,4,6-trione

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

Conditions

Conditions	Yield
In acetonitrile at 20℃; Equilibrium constant; Further Variations:; concentrations;

: C2F6NO4S2(1-)*C8H18NO3(1+)*C9H16N2

A: 1003581-59-6
2-hydroxyethyl(dimethyl)isopropylammonium bis(trifluoromethylsulfonyl)imide

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

Conditions

Conditions	Yield
Inert atmosphere; Heating;

: C2F6NO4S2(1-)*C7H11N2O3(1+)*C9H16N2

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

B: 1-(2-hydroxyethyl)-3-methylimidazolium bis((trifluoromethane)sulfonyl)amide

Conditions

Conditions	Yield
at 120℃; for 0.25h; Inert atmosphere;

: 67-56-1
methanol

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

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

B: 616-38-6
carbonic acid dimethyl ester

Conditions

Conditions	Yield
In chloroform-d1 at 19.84℃; for 16h; Inert atmosphere;	A 100 %Spectr. B 100 %Spectr.

...Expand

: 4-methylbenzophenone-(1,8-diazabicyclo[5.4.0]undec-7-ene)ammonium tetraphenylborate

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

Conditions

Conditions	Yield
In dimethyl sulfoxide Quantum yield; Irradiation;

: 109-97-7
pyrrole

: 1309041-53-9
phenyl 1,8-diazabicyclo[5.4.0]undec-6-ene-8-carboxylate

A: 56880-01-4
1-phenoxycarbonyl pyrrole

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

...Expand

: [RuII(2,2':6',2''-terpyridine)(1-(2,2':6',2''-terpyridin-4'-yl)-3-phenylurea(-H))]+

: 227008-07-3, 857293-63-1
1,8-diazabicyclo[5.4.0]undec-7-ene cation

A: 1429345-86-7
(4'-phenylurea-2,2':6',2''-terpyridine)(2,2':6',2''-terpyridine)ruthenium(II)

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

Conditions

Conditions	Yield
In acetonitrile Equilibrium constant; Solvent;

...Expand

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

: 74-88-4
methyl iodide

: 41315-96-2
8-Methyl-8-aza-1-azonia-bicyclo<5.4.0>undec-1(7)-en-jodid

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 12h;	100%
In benzene	9 g

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

: 762-42-5
dimethyl acetylenedicarboxylate

: 173069-03-9
methyl 2-oxo-4,8-diazatricyclo[6.4.1.04,13]tridec-Δ1,13-en-3-ylideneacetate

Conditions

Conditions	Yield
In dichloromethane at -45 - 20℃;	100%
In chloroform for 0.0333333h; Ambient temperature;	96%

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

: 333-27-7
methyl trifluoromethanesulfonate

: 1-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-1-ium trifluoromethanesulfonate

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 0.666667h;	100%
at 20℃; for 2h;	95%

: 100-44-7
benzyl chloride

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

: 1-benzyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-1-ium chloride

Conditions

Conditions	Yield
for 4h; Heating;	100%
In ethyl acetate at 20℃; for 48h;
In chloroform at 20℃; for 2h;
In chloroform at 20℃; for 2h;
In ethyl acetate at 20℃; for 48h;

: 74-96-4
ethyl bromide

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

: 1-ethyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-1-ium bromide

Conditions

Conditions	Yield
for 0.333333h; Heating;	100%
In ethyl acetate for 48h;
In acetonitrile for 48h;

: 109-69-3
n-Butyl chloride

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

: 1-butyl-2,3,4,6,7,8,9,10-octahydro-pyrimido[1,2-a]azepin-1-ium chloride

Conditions

Conditions	Yield
for 5h; Heating;	100%
In acetonitrile at 75℃; for 24h; Inert atmosphere;	99%
at 50℃; for 24h; Inert atmosphere;	87%
In acetonitrile for 96h; Reflux;	56%

: 10199-34-5, 14056-88-3, 15604-36-1
cis-dichlorobis(triphenylphosphine)platinum(II)

: {Me2Sn(disulphurdinitrido)}2

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

: cis-Pt(disulphurdinitrido)(PPh3)2

Conditions

Conditions	Yield
In not given byproducts: (CH3)2SnCl2; not isolated, identified by NMR spectroscopy;	100%

...Expand

: 19471-47-7, 15630-86-1, 21545-76-6
cis-dichlorobis(trimethylphosphine)platinum(II)

: {Me2Sn(disulphurdinitrido)}2

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

: 104185-14-0
Pt(disulphurdinitrido)(PMe3)2

Conditions

Conditions	Yield
In not given byproducts: (CH3)2SnCl2; not isolated, identified by NMR spectroscopy;	100%

...Expand

: 15393-14-3
cis-[bis(dimethylphenylphosphane)dichlroplatinum(II)]

: {Me2Sn(disulphurdinitrido)}2

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

: 104185-15-1
cis-Pt(disulphurdinitido)(PMe2Ph)2

Conditions

Conditions	Yield
In not given byproducts: (CH3)2SnCl2; not isolated, identified by NMR spectroscopy;	100%

...Expand

: 83095-83-4, 14647-25-7
[platinum(II)dichloride(1,2-bis(diphenylphosphino)ethane)]

: {Me2Sn(disulphurdinitrido)}2

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

: 104185-17-3
(Pt(S2N2)(Ph2PCH2CH2PPh2))

Conditions

Conditions	Yield
In not given byproducts: (CH3)2SnCl2; not isolated, identified by NMR spectroscopy;	100%

...Expand

: 16633-72-0, 53585-56-1, 60103-85-7
cis-dichlorobis(methyldiphenylphosphine)platinum(II)

: {Me2Sn(disulphurdinitrido)}2

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

: cis-Pt(disulphurdinitrido)(PMePh2)2

Conditions

Conditions	Yield
In not given byproducts: (CH3)2SnCl2; not isolated, identified by NMR spectroscopy;	100%

...Expand

: 22288-78-4
Methyl 3-aminothiophene-2-carboxylate

: 994-28-5
triethylchlorogermane

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

A: 135302-90-8
(C2H5)3GeNHC6H5O2S

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

Conditions

Conditions	Yield
In benzene inert atmosphere; addn. of DBU soln. to soln. of Et3GeCl and thiophene derivative, then 36 h, 20°C; filtration off of DBU.HCl, evapn. (reduced pressure), distn. (vac.); elem. anal.;	A 59% B 100%

...Expand

: 22288-78-4
Methyl 3-aminothiophene-2-carboxylate

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

: 1613-66-7
dichlorodiphenylgermane

A: 135389-29-6
(C6H5)2ClGeNHC6H5O2S

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

Conditions

Conditions	Yield
In benzene inert atmosphere; addn. of DBU soln. to soln. of Ph2GeCl2 and thiophene derivative, then 36 h, 20°C; filtration off of DBU.HCl, evapn. (reduced pressure), distn. (vac.); elem. anal.;	A 99% B 100%

...Expand

: 22288-78-4
Methyl 3-aminothiophene-2-carboxylate

: 96481-42-4
dichlorodimesitylgermane

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

A: 144975-54-2, 135389-30-9
((CH3)3C6H2)2ClGeNHC6H5O2S

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

Conditions

Conditions	Yield
In benzene inert atmosphere; addn. of DBU soln. to soln. of Mes2GeCl2 and thiophene derivative, then 24 h, 20°C; filtration off of DBU.HCl, evapn. (reduced pressure);	A 98% B 100%

...Expand

: C23H30N2O5

A: 15795-54-7
5-(4-methoxybenzylidene)-2,2-dimethyl-[1,3]dioxane-4,6-dione

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

Conditions

Conditions	Yield
In acetonitrile at 20℃; Equilibrium constant; Further Variations:; concentrations;

: 15526-65-5, 20516-74-9
tricarbonylbis(triphenylphosphite)iron

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

: 415704-04-0
C9H17N2(1+)*Fe(CO)2(P(OC6H5)3)((C6H5O)2POC6H4)(1-)=[C9H17N2][Fe(CO)2(P(OC6H5)3)((C6H5O)2POC6H4)]

Conditions

Conditions	Yield
In tetrahydrofuran Irradiation (UV/VIS); under N2; stirred soln. Fe(CO)3(P(OPh)3)3 in THF cooled; irradiated for 1-2 h (monitored by IR); C9H16N2 added; stirred for 2 min; not isolated;	100%

: 64-19-7
acetic acid

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

: 36443-65-9
2,3,4,5,7,8,9,10-octahydropyrimido[1,2-a]azepin-1-ium acetate

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 6h;	100%
at 60℃; for 18h; Schlenk technique;	95%
at 5 - 20℃;

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

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

Conditions

Conditions	Yield
With ammonium chloride In methanol at 20℃; for 6h;	100%
With hydrogenchloride In diethyl ether for 1h; Inert atmosphere;	90%
With ammonium chloride In methanol

: 80522-42-5
triisopropylsilyl trifluoromethanesulfonate

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

: 1211543-89-3
CF3O3S(1-)*C18H37N2Si(1+)

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃; Inert atmosphere;	100%

: 1493-13-6
trifluorormethanesulfonic acid

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

: 1H-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-1-ium trifluoromethanesulfonate

Conditions

Conditions	Yield
In chloroform at 20℃;	100%
In dichloromethane at 20℃; for 6h;	92%
In methanol at 0℃; for 24h; Inert atmosphere;
In methanol at 60℃;

: 110682-72-9
tetra-15-crown-5-phthalocyanine

: erbium(III) acetate dihydrate

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

: [Er(tetra-15-crown-5-phthalocyaninate)(1,8-diazabicyclo[5.4.0]undec-7-ene)(acetato)]

Conditions

Conditions	Yield
In 1,2-dichloro-benzene placing of tetra-15-crown-5-phthalocyanine (1 equiv.) and Er(OAc)3*2H2O (8 equiv.) in flask with reflux condenser, addn. of 1,2-dichlorobenzene and 1,8-diazabicyclo(5.4.0)undec-7-ene (40 equiv.), heating to 180.degr ee.C, reflux for 4.5 h; cooling, pptn. with hexane, filtration, washing with hexane, dissolving in CHCl3, pptn. with hexane, sonication in acetone for 30 min, addn. of hexane to the volume ratio acetone:hexane=1:1, cooling to -18°C, pptn., filtration, drying;	100%

Yield

In 1,2-dichloro-benzene placing of tetra-15-crown-5-phthalocyanine (1 equiv.) and Er(OAc)3*2H2O (8 equiv.) in flask with reflux condenser, addn. of 1,2-dichlorobenzene and 1,8-diazabicyclo(5.4.0)undec-7-ene (40 equiv.), heating to 180.degr ee.C, reflux for 4.5 h; cooling, pptn. with hexane, filtration, washing with hexane, dissolving in CHCl3, pptn. with hexane, sonication in acetone for 30 min, addn. of hexane to the volume ratio acetone:hexane=1:1, cooling to -18°C, pptn., filtration, drying;

100%

...Expand

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

: p-nitrobenzyl imidazole-N-carboxylate

: 1450985-90-6
(4-nitrophenyl)methyl 3-(2-oxoazepan-1-yl)propylcarbamate

Conditions

Conditions	Yield
at 70℃; for 2h;	100%

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

: 54-12-6
Trp

: 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-1-ium (D,L)-2-amino-3-(1H-indol-3-yl)propanoate

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 20h;	100%

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

: 613257-41-3
1,8-diazabicyclo[5.4.0]undec-7-ene hydrobromide

Conditions

Conditions	Yield
With ammonium bromide In methanol at 20℃; for 6h;	100%
With hydrogen bromide In water at 5 - 20℃; for 24h;	99%
With hydrogen bromide In acetonitrile at 0 - 20℃; for 2h;
With hydrogen bromide for 6h;

: S-methyl-S-(2-cyanoethyl) ethylphosphonodithioate

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

: C3H9OPS2*C9H16N2

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 1.5h;	100%

: 85721-33-1
ciprofloxacin

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

: C17H18FN3O3*C9H16N2

Conditions

Conditions	Yield
In methanol; water at 20℃; for 2h;	100%

: 25294-59-1
methyl 4-hydroxy-4-methyl-2-pentynoate

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

: 4-hydroxy-4-methyl-N-[3-(2-oxo-1-azepanyl)propyl]-2-pentynamide

Conditions

Conditions	Yield
With water In acetonitrile at 20 - 25℃; for 48h; chemoselective reaction;	100%

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

: 93000-98-7
1,8-diazabicyclo[5.4.0]-7-undecene hydroiodide

Conditions

Conditions	Yield
With ammonium iodide In methanol at 20℃; for 6h; Reagent/catalyst; Solvent;	100%
With hydrogen iodide In 1,4-dioxane; water at 20℃; for 12h;	98%

: 1633-83-6
1,4-butane sultone

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

: 1,8-bis(butanesulphonic acid)-diazobicyclo[5.4.0]undec-7-enium hydrogen sulfate

Conditions

Conditions	Yield
Stage #1: 1,4-butane sultone; 1,8-diazabicyclo[5.4.0]undec-7-ene at 20℃; for 0.0833333h; Stage #2: With sulfuric acid at 20℃;	100%

: 1633-83-6
1,4-butane sultone

: 64-19-7
acetic acid

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

: C17H34N2O6S2(2+)*2C2H3O2(1-)

Conditions

Conditions	Yield
Stage #1: 1,4-butane sultone; 1,8-diazabicyclo[5.4.0]undec-7-ene at 20℃; for 0.0833333h; Stage #2: acetic acid at 20℃;	100%

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: 1633-83-6
1,4-butane sultone

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

: 76-05-1
trifluoroacetic acid

: C17H34N2O6S2(2+)*2C2F3O2(1-)

Conditions

Conditions	Yield
Stage #1: 1,4-butane sultone; 1,8-diazabicyclo[5.4.0]undec-7-ene at 20℃; for 0.0833333h; Stage #2: trifluoroacetic acid at 20℃;	100%

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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

Product Name

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

Synthetic route

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

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

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

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