3-Pyridinecarboximidamide, hydrochloride (1:1)
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3-Pyridinecarboximidamide, hydrochloride (1:1)
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CAS No:
7356-60-7
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Formula:
C6H7N3.ClH
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Chemical Name:
3-Pyridinecarboximidamide, hydrochloride (1:1)
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Synonyms:
3-Pyridinecarboximidamide,hydrochloride (1:1);Nicotinamidine,monohydrochloride;3-Pyridinecarboximidamide,monohydrochloride;Nicotinamidine,hydrochloride;3-Guanylpyridine hydrochloride;3-Pyridinecarboxamidine hydrochloride;3-Amidinopyridine hydrochloride;3-Amidinopyridine monohydrochloride;Nicotinimidamide hydrochloride;3-Amidinopyridinium chloride
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CAS No:
3-Pyridinecarboximidamide, hydrochloride (1:1) Basic Attributes
157.6
157.040680
1312995-182-4
64953
2933399090
Safety Information
IRRITANT
3
36/37/38-20/21/22-22
26-36/37/39-22
QS4733000
Xi,Xn
Irritant
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
3-Pyridinecarboximidamide, hydrochloride (1:1) Use and Manufacturing
General procedure B 1.B : Nicotinimidamide hydrochloride 3-Cyanopyridine (20 g, 0.2 mol) was dissolved in MeOH (200 mL). Powdered NaOMe (1.1 g, 20 mmol) was added in one portion. The solution was stirred overnight at room temperature. After adding NH3-Cyanopyridine (20.0 g, 0.2 mol) was dissolved in dry MeOH (200 mL) andpowdered sodium methoxide (1.1 g, 20 mmol) was added in one portion. Thesolution was stirred overnight at room temperature. After addition of NH4Cl (16.5 g, 0.31 mol), the reaction mixture was heated at reflux for 4 h and then cooled to ambienttemperature. The solvent was evaporated and absolute EtOH (300 mL) was added. Then themixture was heated to reflux. After 15 min, the solids were filtered off and the filtrate wasallowed to cool to room temperature and stand overnight. Additional inorganic salts werefiltered off, and the reaction mixture was concentrated to approximately volume andfiltered to afford 22.4 g (74percent) of the title compound.EXAMPLE 28 a magnetic stirrer was added to a 100ml single mouth eggplant-shaped bottle, and then 1.4g of intermediate 1 was added, 0.72g of a magnetic stirrer was added to a 100ml single mouth eggplant-shaped bottle, and then 1.4g of intermediate 3, 0.78g of Put compound A (10g, 23.03mmole) and 3, 5-dibromobenzaldehyde (6.63g, 25.12mmole) in the reaction tank. After fully removing the water, add 150 ml of ethanol and start stirring. Then, sodium methoxide (0.33 g, 6.2 mmole) was added, and the mixture was stirred at room temperature for 16 hours. Thereafter, 3-Amidinopyridinium chloride (3.96 g, 25.13 mmole) and sodium hydroxide (1.6 g, 40.3 mmole) were added, and 30 ml of toluene was added thereto. The heating device was turned on and heated until 75 C and reacted overnight. After the reaction was completed, the solid was collected by filtration, heated and stirred with 250 ml of toluene, and the solid was filtered to obtain a milky white compound G (about 4.7 g).Put compound A (10g, 23.01mmole) and 3-bromobenzaldehyde (5.11g, 27.6mmole) in the reaction tank. After fully removing water, add 150ml of Ethanol, start stirring, and add sodium hydroxide (0.276g, 6.9mmole) And stirred at room temperature for 16hr. Thereafter, 3-Amidinopyridinium chloride (3.97 g, 25.2 mmole) and sodium hydroxide (1.3 g, 34.4 mmole) were added, and 20 ml of toluene was added thereto, and the heating device was turned on. The reaction was heated to 75 C overnight. After the reaction was completed, 250 ml of toluene was collected from the solid by filtration, and the solid was filtered by heating and stirring to obtain a milky white solid B (about 6.4 g).
Computed Properties
Molecular Weight:157.60
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:157.0406750
Monoisotopic Mass:157.0406750
Topological Polar Surface Area:62.8
Heavy Atom Count:10
Complexity:111
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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