2-Chloro-5-hydroxymethylp...
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2-Chloro-5-hydroxymethylp...
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CAS No:
1046816-75-4
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Formula:
C5H5ClN2O
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Chemical Name:
2-Chloro-5-hydroxymethylp...
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Synonyms:
2-Chloro-5-hydroxymethylp...;2-Chloro-5-hydroxyMethylpyriMidine;2-ChloropyriMidin-5-yl)Methanol;2-chloro-5-Pyrimidinemethanol;(2-Chloropyrimidin-5-yl)
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CAS No:
Characteristics
46
0.3
1.422±0.06 g/cm3(Predicted)
341.8±17.0 °C(Predicted)
160.5±20.9 °C
1.579
H2O: Freely soluble (199 g/L) (25 ºC)
Safety Information
|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
2-Chloro-5-hydroxymethylp... Use and Manufacturing
Compound II-1 (50.01 g, 0.347 mol, 1.0 e.q.) was dissolved in THF (500 mL), and compound III (75.39 g, 0.347 mol, 1.0 e.q.) was added.Triphenylphosphine (135.1 g, 0.347 mol, 1.0 e.q.), cooled to -20 ° C, DIAD (70.21 g, 0.347 mol, 1.0 e.q.) was added dropwise, and the reaction was stirred at room temperature for 12 h.The reaction solution was poured into water, extracted with EA and washed with saturated aqueous sodium hydrogen carbonate.After drying, the reaction solution was concentrated, and the precipitated solid was removed by crystallization with PE/EA. The reaction solution was concentrated to give Compound IV-1 as a yellow liquid, 71.43 g. The yield was 60.01percent.To a microwave reaction vial with terf-butyl azetidin-3-ylcarbamate hydrochloride (433 mg, 2.1 mmol) in acetonitrile (10 mL) was added
Computed Properties
Molecular Weight:144.56
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:144.0090405
Monoisotopic Mass:144.0090405
Topological Polar Surface Area:46
Heavy Atom Count:9
Complexity:83
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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