1,5,7-Triazabicyclo[4.4.0]dec-5-ene
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![1,5,7-Triazabicyclo[4.4.0]dec-5-ene structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/38b7410c20644128ae441b4b91e256fc.png "1,5,7-Triazabicyclo[4.4.0]dec-5-ene")
1,5,7-Triazabicyclo[4.4.0]dec-5-ene
structure -
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CAS No:
5807-14-7
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Formula:
C7H13N3
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Chemical Name:
1,5,7-Triazabicyclo[4.4.0]dec-5-ene
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Synonyms:
2H-Pyrimido[1,2-a]pyrimidine,1,3,4,6,7,8-hexahydro-;2H-Pyrimido[1,2-a]pyrimidine,3,4,6,7,8,9-hexahydro-;1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidine;1,5,9-Triazabicyclo[4.4.0]dec-9-ene;1,5,7-Triazabicyclo[4.4.0]dec-5-ene;2,3,4,6,7,8-Hexahydro-1H-pyrimido[1,2-a]pyrimidine;1,5,7-Triazabicyclo[4.4.0]deca-5-ene;TBD;1H,2H,3H,4H,6H,7H,8H-[1,3]Diazino[1,2-a]pyrimidine;Triazabicyclodecene;3,4,6,7,8,9-Hexahydro-2H-pyrimido[1,2-a]pyrimidine;170942-35-5;389623-48-7;1308663-28-6;1330822-87-1;1380207-47-5;1567797-33-4;1872278-68-6;2000224-85-9
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CAS No:
Description
Light yellow crystalline
3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine is a member of pyrimidines.
1,5,7-Triazabicyclo[4.4.0]dec-5-ene Basic Attributes
139.2
139.20
227-367-1
KAF7GN82TM
DTXSID10206793
2933599090
Safety Information
Ⅱ
8
UN 1759 8/PG 2
3
34
26-36/37/39-45-27
C
P280-P305 + P351 + P338-P310
H314
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 64 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1,5,7-Triazabicyclo[4.4.0]dec-5-ene Use and Manufacturing
To a 100 mL autoclave equipped with a reflux condenser and an electric stirrer, 20 mL of an aqueous solution of GHC was added(6.0 mmol / mL), 20 mL (5.0 mmol / mL) of the APA solution of the mesitylene, the pretreated macroporous anion exchange resin (0201) 0.578, under argon protection and 120 ° (reaction 911.After the reaction, the reaction mixture was first recovered by filtration to recover the D201 resin (the recovered resin was washed and dried for repeated synthesis experiments). Then, the oil-water two-phase system was filtered to recover the oil phase mesitylene with a separatory funnel. The water phase is steamed to obtain a pale yellow viscous liquid. The latter was extracted with 30 mL of methylene chloride. The extract was recovered by rotary distillation of methylene chloride. The colorless oily liquid was placed in a freezer compartment at 12 ° C for 12 h and then allowed to stand at room temperature (15 to 25 ° C) To become a pale yellow solid, then at 40. (: Vacuum drying 40h was the product of bicyclidine TBD 7.66g, yield 55percent.Preparation of Cyclic Guanidine under CQ2; No. Material Parts by Weight (g)1 dicyandiamide 42.02 Butyl cellosolve 125.43 Dipropylene triamine 131 .2 [0070] Materials 1 and 2 were added to a round bottom flask equipped with a mechanical stirrer, reflux condenser, temperature probe and a gas inlet. The mixture was placed under an atmosphere of carbon dioxide and then warmed to 60 ^ , at which time material 3 was added dropwise over 60 minutes. The mixture was then warmed to 130 ^, held there and sampled hourly. After 5 hours essentially all the dicyandiamide had been consumed. A Preparation of Cyclic Guanidine, no weak acid; No. Material Parts by Weight (g)1 dicyandiamide 42.02 Butyl cellosolve 125.43 Dipropylene triamine 131 .2[0069] Materials 1 and 2 were added to a round bottom flask equipped with a mechanical stirrer, reflux condenser, temperature probe and inert gas inlet. The mixture was then warmed to 60 ^ , at which time material 3 was added and the mixture held at 60 'C for 1 hour (h). The mixture was then warmed to 170 and sampled hourly. After one hour at temperature all the dicyandiamide had been consumed. A
Computed Properties
Molecular Weight:139.20
XLogP3:-0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:139.110947427
Monoisotopic Mass:139.110947427
Topological Polar Surface Area:27.6
Heavy Atom Count:10
Complexity:153
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1,5,7-Triazabicyclo[4.4.0]dec-5-ene
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