N4-Benzoylcytosine
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N4-Benzoylcytosine
structure -
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CAS No:
26661-13-2
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Formula:
C11H9N3O2
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Chemical Name:
N4-Benzoylcytosine
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Synonyms:
Benzamide,N-(2,3-dihydro-2-oxo-4-pyrimidinyl)-;Benzamide,N-(1,2-dihydro-2-oxo-4-pyrimidinyl)-;Cytosine,N-benzoyl-;N-(2,3-Dihydro-2-oxo-4-pyrimidinyl)benzamide;2(1H)-Pyrimidinone,4-(benzoylamino)-;N-Benzoylcytosine;2-Hydroxy-4-benzamidopyrimidine;N4-Benzoylcytosine;NSC 211617;4-n-Benzoylcytosine;642075-47-6;2087916-95-6
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CAS No:
Safety Information
NONH for all modes of transport
3
20/22-36/37/38
26-36
Xi
P261-P305 + P351 + P338
H302-H315-H319-H332-H335
|Warning|H302 (95.35%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
N4-Benzoylcytosine Use and Manufacturing
Reactor after the replacement of nitrogen, adding 100L acetonitrile, 22 kg (196mol) no water cytosine, 25gDMAP, 24 kg triethylamine, in 5-8 °C lower, slowly dropping 34 kg benzoyl chloride, after dripping, natural to room temperature, in the 25 °C stirring for one hour, then slowly heated to 40-45 °C insulation two hours, then cooling down to room temperature, filter press, the filtrate collected after acetonitrile 60L recycling, the filter cake with water and ethanol washing, drying to obtain the kind of white solid 40 kg, liquid phase content is 99.2percent.Reactor after the replacement of nitrogen, adding 200L acetonitrile, 22 kg (196mol) no water cytosine, 50gDMAP, 28 kg triethylamine, in 5-10 °C lower, slowly dropping 96 kg (benzoic anhydride solution: 50 wt percent) acetonitrile solution of benzoic anhydride, after dripping, natural to room temperature, in the 25 °C stirring for one hour, then slowly heated to 45-50 °C thermal insulation 2 hours, then reduced to room temperature, filter press, the filtrate collected after acetonitrile 132L recycling, the filter cake is washed with water and ethanol, dried to obtain a white solid 41 kg, liquid phase content of 99.14percent.EXAMPLE 19
Antitumor and antiviral drug intermediates, Sofibuvir intermediates
Computed Properties
Molecular Weight:215.21
XLogP3:0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:215.069476538
Monoisotopic Mass:215.069476538
Topological Polar Surface Area:70.6
Heavy Atom Count:16
Complexity:354
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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