2-Chloro-1,3-dimethylimidazolidinium h...
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2-Chloro-1,3-dimethylimidazolidinium h...
structure -
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CAS No:
101385-69-7
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Formula:
C5H10ClF6N2P
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Chemical Name:
2-Chloro-1,3-dimethylimidazolidinium h...
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CAS No:
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S36
Xi: Irritant;
P261-P305 + P351 + P338
H315-H319-H335
|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 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Chloro-1,3-dimethylimidazolidinium h... Use and Manufacturing
Step 1HOBt (27.8 mg, 0.206 mmol) in DCM (2 mL) was added to 2-chloro-1, 3-dimethyl- 4, 5-dihydro-1H-imidazol-3-ium hexafluorophosphate (57.4 mg, 0.206 mmol) and triethlyamine (0.029 mL, 0.21 mmol) in DCM (2 mL). The reaction was stirred at rt for overnight. The reaction mixture was filtered to collect 2-((1H-benzo[d][1, 2, 3]triazol-1-yl)oxy)-1, 3-dimethyl-4, 5-dihydro-1H-imidazol-3-ium hexafluorophosphate, , as white solid. MS m/z 232.1(M+). Retention time 0.324 min. This material was used in the next step without further purification.Step 1 : Preparation of (1, 3-dimethylimidazolidin-2-ylidene) isoquinolin-5-ylamine A mixture of 5-aminoisoquinoline (0.3 g, 2.09 mmol) and 2-chloro-1, 3-dimethylimid- azolidinium hexafluorophosphate (0.7 g, 2.51 mmol) in 15 mL of DCE, was heated to 60C for 72 hours. The crude was purified by flash column eluting with CH2CL2 : MeOH: NH40H (94.5 : 5: 0.5) to afford 0.25 g (50%) of the above titled compound as a dark FOAM. LU NMR (CD30D 3.31) 5 2.74 (s, 6 H), 3.79 (s, 4 H), 7.75 (d, 1 H, J = 1.17), 7.77 (s, 1 H), 8.01 (dt, 1H, J= 6.03, 0.96), 8.15 (m, 1 H), 8.59 (d, 1H, J= 6.03), 9.35 (d, 1H, J= 0.99) ; MS (ES+) M/Z 241.2 (M + H).
Computed Properties
Molecular Weight:278.56
Hydrogen Bond Acceptor Count:7
Exact Mass:278.0174320
Monoisotopic Mass:278.0174320
Topological Polar Surface Area:6.2
Heavy Atom Count:15
Complexity:178
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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2-Chloro-1,3-dimethylimidazolidinium h...
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