1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidine supplier

Name
1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidine
EINECS 227-367-1
CAS No. 5807-14-7
Article Data17
CAS DataBase
Density 1.28 g/cm³
Solubility
Melting Point 125-130 °C
Formula C₇H₁₃N₃
Boiling Point 222.3 °C at 760 mmHg
Molecular Weight 139.2
Flash Point 88.3 °C
Transport Information UN 1759
Appearance WHITE TO YELLOW CRYSTALS
Safety 26-36/37/39-45-27
Risk Codes 34
Molecular Structure
Hazard Symbols C
Synonyms 2H-Pyrimido[1,2-a]pyrimidine,3,4,6,7,8,9-hexahydro- (7CI);1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidine;1,5,7-Triazabicyclo[4.4.0]dec-5-ene;1,5,9-Triazabicyclo[4.4.0]dec-9-ene;
PSA 27.63000
LogP -0.25630

Synthetic route

: 56-18-8
bis(3-aminopropyl)amine

: 50-01-1
guanidine hydrochloride

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

Conditions

Conditions	Yield
Stage #1: bis(3-aminopropyl)amine; guanidine hydrochloride With hydrogenchloride at 155℃; Stage #2: With sodium methylate In methanol	93%
With anion exchange resin (D201) In water; 1,3,5-trimethyl-benzene at 120℃; for 9h; Temperature; Autoclave; Inert atmosphere;	55%

: 56-18-8
bis(3-aminopropyl)amine

: isooctyltriethoxysilane

: 616-38-6
carbonic acid dimethyl ester

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

Conditions

Conditions	Yield
Stage #1: bis(3-aminopropyl)amine; carbonic acid dimethyl ester at 60 - 250℃; for 4h; Stage #2: isooctyltriethoxysilane at 250℃; for 9h; Temperature; Reagent/catalyst;	87%

...Expand

: 56-18-8
bis(3-aminopropyl)amine

: 726-42-1
di-p-tolylcarbodiimide

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

Conditions

Conditions	Yield
With [ς:η1:η5-(OCH2)(Me2NCH2)C2B9H9]Ti-(NMe2) In toluene at 115℃; for 240h;	76%
With 2-Butoxyethanol at 23 - 170℃; for 15h;

<3-chloro-propyl>-<1,4,5,6-tetrahydro-pyrimidin-2-yl>-amine hydrochloride: <3-chloro-propyl>-<1,4,5,6-tetrahydro-pyrimidin-2-yl>-amine hydrochloride

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

Conditions

Conditions	Yield
With potassium hydroxide

: 229311-99-3
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine tetraphenylborate

A: C24H21B

B: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

Conditions

Conditions	Yield
In acetonitrile Quantum yield; Kinetics; Mechanism; Time; Concentration; UV-irradiation at 254 nm; Inert atmosphere;

: 13173-07-4
1-(3-aminopropyl)tetrahydro-2(1H)-pyrimidinone

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

Conditions

Conditions	Yield
In Triethylene glycol dimethyl ether at 100 - 230℃; Product distribution / selectivity; Inert atmosphere;

: 7-acetyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene

: 109-73-9
N-butylamine

A: 1119-49-9
N-butylacetamide

B: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

Conditions

Conditions	Yield
In (2)H8-toluene at 24.84℃; Kinetics; Inert atmosphere;

...Expand

: 7-acetyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene

: 100-51-6
benzyl alcohol

A: 140-11-4
Benzyl acetate

B: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

Conditions

Conditions	Yield
In (2)H8-toluene at 24.84℃; Kinetics; Inert atmosphere;

...Expand

: 56-18-8
bis(3-aminopropyl)amine

: 127099-85-8, 780722-26-1
N-Cyanoguanidine

A: 108-78-1
2,4,6-triamino-s-triazine

B: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

Conditions

Conditions	Yield
In 2-Butoxyethanol at 60 - 170℃; for 2h; Inert atmosphere;	A 47 %Spectr. B 34 %Spectr.

...Expand

: 56-18-8
bis(3-aminopropyl)amine

: 127099-85-8, 780722-26-1
N-Cyanoguanidine

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

Conditions

Conditions	Yield
With carbon dioxide In 2-Butoxyethanol at 60 - 130℃; for 6h;	57 %Spectr.
With toluene-4-sulfonic acid at 220 - 230℃; for 6h; Inert atmosphere;

: 56-18-8
bis(3-aminopropyl)amine

: 420-04-2
CYANAMID

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

Conditions

Conditions	Yield
Stage #1: bis(3-aminopropyl)amine; CYANAMID With hydrogenchloride at 155℃; Stage #2: With sodium methylate In methanol

: 56-18-8
bis(3-aminopropyl)amine

: 693-13-0
diisopropyl-carbodiimide

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

Conditions

Conditions	Yield
With 2-Butoxyethanol; isopropylamine at 60 - 170℃; for 12h;

: 56-18-8
bis(3-aminopropyl)amine

: 538-75-0
dicyclohexyl-carbodiimide

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

Conditions

Conditions	Yield
With 2-Butoxyethanol at 60 - 170℃; for 18h; Reagent/catalyst; Temperature;

: 1333123-53-7
C15H10O4*C7H13N3

A: 6280-45-1
2-methyl-9H-xanthen-9-one

B: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

Conditions

Conditions	Yield
In methanol UV-irradiation;

: 1333123-47-9
C7H13N3*C16H14O3

A: 66067-43-4
3-ethylbenzophenone

B: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

Conditions

Conditions	Yield
In methanol UV-irradiation;

: 56-18-8
bis(3-aminopropyl)amine

A: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

B: 1,3,4,6,7,8-hexahydro-1-methyl-2H-pyrimido[1,2-a]pyrimidine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: methanol / 16 h / 180 °C / 3750.38 - 45754.6 Torr / Autoclave 2: silica-doped aluminum oxide / methanol / 253 °C / 750.08 Torr / Inert atmosphere View Scheme

: 56-18-8
bis(3-aminopropyl)amine

: 124-38-9
carbon dioxide

A: 13173-07-4
1-(3-aminopropyl)tetrahydro-2(1H)-pyrimidinone

B: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

C: 10166-54-8
1-methyltetrahydropyrimidin-2(1H)-one

D: 66639-75-6
1-ethyltetrahydropyrimidin-2(1 H)-one

Conditions

Conditions	Yield
In methanol at 180℃; under 3750.38 - 45754.6 Torr; for 16h; Pressure; Solvent; Autoclave;

...Expand

: 13173-07-4
1-(3-aminopropyl)tetrahydro-2(1H)-pyrimidinone

A: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

B: 1,3,4,6,7,8-hexahydro-1-methyl-2H-pyrimido[1,2-a]pyrimidine

Conditions

Conditions	Yield
With silica-doped aluminum oxide In methanol at 253℃; under 750.075 Torr; Reagent/catalyst; Temperature; Solvent; Inert atmosphere;

: 19945-19-8
2-(benzyloxy)propane-1,3-diyl bis(4-methylbenzenesulfonate)

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

: 160154-14-3
2-(benzyloxy)octahydro-3a,6a,9a-triazaphenalene

Conditions

Conditions	Yield
With potassium hydroxide; sodium tetrahydroborate; potassium bromide In toluene for 42.5h; Ambient temperature;	100%
Stage #1: 2-(benzyloxy)propane-1,3-diyl bis(4-methylbenzenesulfonate); 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine With potassium hydroxide In 1,4-dioxane for 48h; Heating; Stage #2: With sodium tetrahydroborate In 1,4-dioxane at 20℃; for 48h;

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

: 693-13-0
diisopropyl-carbodiimide

: (Z)-N,N′-diisopropyl-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine-1-carboximidamide

Conditions

Conditions	Yield
at 20℃; for 48h; Inert atmosphere;	100%
With acid	43%

: 124-38-9
carbon dioxide

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

: [TBDH][HCO3]

Conditions

Conditions	Yield
With water In tetrahydrofuran at 20℃; under 760.051 Torr; for 0.5h;	100%

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

: tetrafluoroborate guanidinium salt

Conditions

Conditions	Yield
With tetrafluoroboric acid In methanol; water at 0℃; for 0.5h;	100%

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

: 616-29-5
1,3-Diamino-2-hydroxypropane

: 105-58-8
Diethyl carbonate

: 1852-18-2
tetrahydro-5-hydroxy-2(1H)-pyrimidinone

Conditions

Conditions	Yield
	100%

...Expand

: 64-18-6
formic acid

: 124-38-9
carbon dioxide

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

: 1356453-15-0
CH2O2*C7H13N3

Conditions

Conditions	Yield
In diethyl ether at 30℃; under 750.075 Torr; for 1h; Inert atmosphere;	100%

...Expand

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

: 622-58-2
p-Tolylisocyanate

: N-(p-tolyl)-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine-1-carboxamide

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 1h; Inert atmosphere;	100%

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

: 622-59-3
1-isothiocyanato-4-methylbenzene

: (Z)-N-p-tolyl-2,3,4,6,7,8-hexahydro-1H-pyrimido-[1,2-a]pyrimidin-9-ium-1-carbimidothioate

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 1h; Inert atmosphere;	100%

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

: 1548-13-6
p-trifluoromethyl-phenylisocyanate

: 71-43-2
benzene

: N-[4-(trifluoromethyl)phenyl]-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine-1-carboxamide

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 1h; Inert atmosphere;	100%

...Expand

: 75-89-8
2,2,2-trifluoroethanol

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

: C7H14N3(1+)*C2H2F3O(1-)

Conditions

Conditions	Yield
at 50℃; for 24h; Cooling with ice; Inert atmosphere;	100%

: 1,2-W2(i-Bu)2(NMe2)4

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

: 463931-34-2
W2(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine)4

Conditions

Conditions	Yield
In benzene (Ar); stirred for 3 d; evapd., dried, dissolved in C6H6, pptd. with hexane, filtered, washed (hexane), dried;	99%

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

: 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine hydroiodide

Conditions

Conditions	Yield
With hydrogen iodide In water at 0 - 20℃; for 2h;	99%
Multi-step reaction with 2 steps 1: ammonium chloride / methanol / 4 h / 20 °C / Inert atmosphere 2: sodium iodide / dichloromethane / 24 h / Inert atmosphere View Scheme
Multi-step reaction with 2 steps 1: ammonium chloride / methanol / 1 h / 20 °C 2: sodium iodide / dichloromethane / 16 h / 20 °C View Scheme

: W2Cl2(NMe2)4

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

: 280107-73-5, 874340-22-4
W2(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine)4Cl2

Conditions

Conditions	Yield
In melt byproducts: HNMe2; (N2 or Ar); W2Cl2(NMe2)4 placed together with ligand, finely ground, heated under Ar at 150°C for 15 h; evacuated on cooling, powdered finely, heated at 150°C under 1E-4Torr, recrystd. (CH2Cl2); elem. anal.;	98%

: 124-38-9
carbon dioxide

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

: 2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidin-9-ium-9-carboxylate

Conditions

Conditions	Yield
In tetrahydrofuran under 760.051 Torr;	98%
In tetrahydrofuran at 20℃; under 760.051 Torr; for 0.0833333h; Inert atmosphere;	98%
In tetrahydrofuran at 20℃; under 750.075 Torr; for 1h; Inert atmosphere; Schlenk technique;

: 863223-65-8
(C5Me5)2Ce(η3-CH2CHCH2)(THF)

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

: (C5Me5)2Ce(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine)

Conditions

Conditions	Yield
In toluene byproducts: C3H6, C4H8O; (Ar or N2); soln. of pyrimidine in toluene was added to soln. of cerium complex in toluene, stirred for 12 h; evapd. in vac., elem. anal.;	97%

: 1085985-44-9
(C5Me5)2Sm(η3-CH2CHCH2)(THF)

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

: (C5Me5)2Sm(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine)

Conditions

Conditions	Yield
In toluene byproducts: C3H6, C4H8O; (Ar or N2); soln. of pyrimidine in toluene was added to soln. of samarium complex in toluene, stirred for 12 h; evapd. in vac., elem. anal.;	97%

: 67605-92-9
dimethylbis(η5-pentamethylcyclopentadienyl)uranium

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

: 1202368-33-9
[UMe(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinato)(pentamethylcyclopentadienyl)2]

Conditions

Conditions	Yield
In toluene byproducts: CH4; (N2); ligand was added with stirring to soln. of U complex in toluene; stirred for 12 h; evapd. (vac.); elem. anal.;	97%

: [1-(N-pivaloylamino)ethyl]triphenylphosphonium tetrafluoroborate

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

: 5-[1-(N-pivaloylamino)ethyl]-1,7-diaza-5-azoniabicyclo[4.4.0.]dec-5-ene tetrafluoroborate

Conditions

Conditions	Yield
In acetonitrile at 20℃; for 0.166667h;	97%

: [1-(N-benzyloxycarbonylamino)ethyl]triphenylphosphonium tetrafluoroborate

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

: 5-[1-(N-benzyloxycarbonylamino)ethyl]-1,7-diaza-5-azoniabicyclo[4.4.0.]dec-5-ene tetrafluoroborate

Conditions

Conditions	Yield
In acetonitrile at 20℃; for 0.166667h;	97%

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

: 64-19-7
acetic acid

: 1,5,7-triazabicyclo[4.4.0]dec-5-enium acetate

Conditions

Conditions	Yield
In ethanol at 0 - 20℃; for 1h;	97%
In hexane at 0 - 20℃; for 24h; Inert atmosphere;

: 378753-31-2
(C5Me5)2Y(η3-CH2CHCH2)(THF)

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

: (C5Me5)2Y(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine)

Conditions

Conditions	Yield
In toluene byproducts: C3H6, C4H8O; (Ar or N2); soln. of pyrimidine in toluene was added to soln. of samarium complex in toluene, stirred for 12 h; evapd. in vac., elem. anal.;	96%

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

: 19528-13-3
trimethylamine-gallane adduct

: (H2Ga(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine(1-))2

Conditions

Conditions	Yield
[(κ3-C6H3-1,3-[OPtBu2]2)Ir(H)2] In diethyl ether; toluene standard Schlenk techniques under an inert gas; Ga-compd. in Et2O cooledto 0°C, added to pyrimidine-compd. in toluene at -95°C wi th cannula, stirred for 1.5 h, solid Ir-compd. added at -52°C, stirred for 6 h, warmed to -18°C; kept at -18°C for two weeks, elem. anal.;	96%

: 624-28-2
2,5-dibromopyridine

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

: 1537175-34-0
1-(5-bromopyridin-2-yl)-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine

Conditions

Conditions	Yield
In neat (no solvent) at 90℃; for 3h; Sealed tube; Green chemistry;	96%
at 90℃; for 3h; Sealed tube;	96%

: 4487-59-6
2-bromo-5-nitropyridine

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

: 1-(5-nitropyridin-2-yl)-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine

Conditions

Conditions	Yield
Stage #1: 2-bromo-5-nitropyridine With palladium diacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In toluene at 60℃; Inert atmosphere; Stage #2: 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine With potassium tert-butylate In toluene at 120℃; for 3h; Inert atmosphere;	96%

: 75-15-0
carbon disulfide

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

: 2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidin-9-ium 2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine-1-carbodithioate

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 1h; Inert atmosphere;	96%

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

: C27H30N2O5

: C27H30N2O5*2C7H13N3

Conditions

Conditions	Yield
In methanol at 20℃; for 12h;	95.3%

: Mo2Cl2(NMe2)4

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

: 603952-68-7, 645402-76-2
Mo2(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinato)4Cl2

Conditions

Conditions	Yield
In melt byproducts: HNMe2; (N2 or Ar); Mo2Cl2(NMe2)4 placed together with ligand, finely ground, heated under Ar at 150°C for 12 h; evacuated on cooling, powdered finely, heated at 150°C under 1E-4Torr, recrystd. (CH2Cl2); elem. anal.;	95%

: 3-imidazolyl-3-(4-methoxyphenyl)propionic acid

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

: C13H14N2O3*C7H13N3

Conditions

Conditions	Yield
In methanol at 60℃; for 0.5h; Inert atmosphere;	95%
In methanol at 60℃; for 0.5h; Inert atmosphere;	95%

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

: C25H26N2O5

: C25H26N2O5*2C7H13N3

Conditions

Conditions	Yield
In methanol at 30℃; for 1h;	94.4%

: 344-07-0
1-chloro-2,3,4,5,6-pentafluorobenzene

: 5807-14-7
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine

: 12-chloro-11,13,14-trifluoro-1,5,9-triaza-tricyclo[7.6.1.010,15]hexadeca-10,12,14-trien-16-one

Conditions

Conditions	Yield
With water In acetonitrile for 0.5h; Heating;	94%

1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidine Specification

The IUPAC name of 1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidine is 3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine. With the CAS registry number 5807-14-7, it is also named as 2H-Pyrimido[1,2-a]pyrimidine,1,3,4,6,7,8-hexahydro-. The product's category is Heterocyclic Compound. Besides, it should be stored in closed, cool and dry place. In addition, its molecular formula is C₇H₁₃N₃ and molecular weight is 139.20.

The other characteristics of this product can be summarized as: (1)EINECS: 227-367-1; (2)ACD/LogP: -1.08; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -3.08; (5)ACD/LogD (pH 7.4): -3.08; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 3; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 0; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 39.76 cm³; (15)Molar Volume: 108.2 cm³; (16)Surface Tension: 50.6 dyne/cm; (17)Density: 1.28 g/cm³; (18)Flash Point: 88.3 °C; (19)Melting point: 125-130 °C; (20)Enthalpy of Vaporization: 45.88 kJ/mol; (21)Boiling Point: 222.3 °C at 760 mmHg; (22)Vapour Pressure: 0.102 mmHg at 25 °C.

Uses of 1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidine: it can react with 1,2-Bis-(toluene-4-sulfonyloxy)-ethane to get Hexahydro-2a,5a,8a-triaza-acenaphthylene.

This reaction needs KOH, KBr, NaBH₄ and Toluene at ambient temperature for 42.5 hours. The yield is 79 %.

When you are using this chemical, please be cautious about it as the following: it may cause burns. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. Moreover, you should wear suitable protective clothing, gloves and eye/face protection. And please take off immediately all contaminated clothing. Additionally, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES: N\2=C1/NCCCN1CCC/2
(2)InChI: InChI=1/C7H13N3/c1-3-8-7-9-4-2-6-10(7)5-1/h1-6H2,(H,8,9)
(3)InChIKey: FVKFHMNJTHKMRX-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C7H13N3/c1-3-8-7-9-4-2-6-10(7)5-1/h1-6H2,(H,8,9)
(5)Std. InChIKey: FVKFHMNJTHKMRX-UHFFFAOYSA-N

Product Name

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

Synthetic route

1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidine Specification

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