1-(2-Pyrimidinyl)piperazine
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1-(2-Pyrimidinyl)piperazine
structure -
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CAS No:
20980-22-7
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Formula:
C8H12N4
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Chemical Name:
1-(2-Pyrimidinyl)piperazine
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Synonyms:
Pyrimidine,2-(1-piperazinyl)-;2-(1-Piperazinyl)pyrimidine;1-(2-Pyrimidinyl)piperazine;1-(2-Pyrimidyl)piperazine;MJ 13653;4-(2-Pyrimidinyl)piperazine;1-PP;CM 56324H;PmP;N-2-Pyrimidinylpiperazine;2-Piperazinopyrimidine;1-(4-Pyrimidin-2-yl)piperazine;116613-86-6
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CAS No:
Characteristics
41
0
After melting, clear yellow.
1.1±0.1 g/cm3
176.5-178.5 °C
118-120 °C @ Press: 2 Torr
152.1±30.7 °C
1.551
almost transparency
Store in a cool, dry place. Keep container closed when not in use.
0.000195mmHg at 25°C
Safety Information
UN3259
3
R36/37/38
S26-S36-S24/25
UV9702000
Xi:Irritant
Stable under normal temperatures and pressures.
P305 + P351 + P338
H315-H319-H335
|Danger|H314 (25%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 60 companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Drug Information
Agents that alleviate ANXIETY, tension, and ANXIETY DISORDERS, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. ADRENERGIC BETA-ANTAGONISTS are commonly used in the symptomatic treatment of anxiety but are not included here. (See all compounds classified as Anti-Anxiety Agents.)|Drugs that bind to but do not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists. Adrenergic alpha-antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma. (See all compounds classified as Adrenergic alpha-Antagonists.)
2-(1-piperazinyl)pyrimidine has known human metabolites that include 2-(Piperazin-1-yl)pyrimidin-5-ol.
1-(2-pyrimidinyl)piperazine
1-(2-Pyrimidinyl)piperazine Use and Manufacturing
General procedure: 2-Chloro-4, 6-disubstituted-pyrimidines 17 were prepared bythe reaction of the diazoniumsalts of 4, 6-disubstituted-pyrimidin-2-amines (16) with concentrated hydrochloric acid and ZnCl2 [35].Compound 18 was prepared according to literature [32], and themethod was improved. To a stirred solution of piperazine(45 mmol) and K2CO3 (16.5 mmol) in water (20 mL) was addedchloropyrimidine 17 (18 mmol) in small portions at 50e65 C. Themixture was stirred for 1 h at 60e65 C and cooled to 35 C. Theyellowsolid, 1, 4-bispyrimidylpiperazine byproduct, was filtered off, and the filtrate was then extracted three times with chloroform, dried over Na2SO4, and evaporated in vacuum to give compound 18, which was used for the following reactions without further purification. 18a: yellow oil, yield 88percent.The 24 g anhydrous piperazine, 100 ml water and 8 ml ammonia water into the 250 ml three port into reaction, stirring and heating to 98 °C, dropwise 10 g of 2 - chloro pyrimidine and 90 ml water mixed solution, in 3 hours paused, 98 °C lower heat insulating 0.5 hours. To turns on lathe the distillation, removing about 120 ml water of, cooling to room temperature, dichloromethane is used for extraction 3 times, each time the 30 ml. The combined dichloromethane, adding 4 g anhydrous calcium chloride drying 1 hour, filtering, in the 40 °C lower steaming and removing dichloromethane, shall be 15.6 g product, liquid phase purity 90.04percent, disubstituted by-product (the second piperazine pyrimidine) 11percent. GC analysis of the residual piperazine 0.21percent, yield 83.8percent.100 g of anhydrous piperazine, 360 ml of water and 32 ml of aqueous ammonia were poured into a 1000 ml three-necked reaction flask and heated to 95 ° C to 100 ° C with stirring. A mixed solution of 44 g of dichloropyrimidine and 360 ml of water was added dropwise, and the mixture was dropped at about 3 hours and incubated at 95 ° C to 100 ° C for 1 hour. Spin distillation, remove about 480ml of water, cooling to room temperature, extracted with dichloromethane 3 times, each 120m. The combined methylene chloride was added with 16 g of anhydrous calcium chloride for 1 hour, filtered and the dichloromethane was removed by steaming at 40 ° C to give 57 g of product, liquid purity of 89.74percent, disubstituted by-product (dipyrimidinyl piperazine) 10percent. GC analysis of piperazine residue 0.19percent, the yield of 80.7percent.
The major metabolite of Tandospirone. 2-(1-Piperazinyl)pyrimidine
Computed Properties
Molecular Weight:164.21
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:164.106196400
Monoisotopic Mass:164.106196400
Topological Polar Surface Area:41
Heavy Atom Count:12
Complexity:127
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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