Bis(4-nitrophenyl) carbonate
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Bis(4-nitrophenyl) carbonate
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CAS No:
5070-13-3
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Formula:
C13H8N2O7
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Chemical Name:
Bis(4-nitrophenyl) carbonate
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Synonyms:
Carbonic acid,bis(4-nitrophenyl) ester;Carbonic acid,bis(p-nitrophenyl) ester;Bis(4-nitrophenyl) carbonate;p,p′-Dinitrodiphenylcarbonate;Bis(p-nitrophenyl) carbonate;4,4′-Dinitrodiphenyl carbonate;Di-4-nitrophenyl carbonate;Di-p-nitrophenyl carbonate;NSC 1730;Di(4-nitropropyl) carbonate
- Categories:
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CAS No:
Bis(4-nitrophenyl) carbonate Basic Attributes
304.21
304.21
1892897
225-775-4
1730
DTXSID60198755
2920909090
Characteristics
127
3.3
Clear slightly yellow or greenish to brown Liquid
1.5±0.1 g/cm3
140 °C @ Solvent: Chloroform
475.9°C at 760 mmHg
217.5±26.5 °C
1.632
soluble in chloroform and tetrahydrofuran.
Safety Information
NONH for all modes of transport
3
36/38
26-36
Xi
P305 + P351 + P338
H315-H319
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 46 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Bis(4-nitrophenyl) carbonate Use and Manufacturing
General procedure: Alcohol 3 or 5 (0.84 mmol) was added to a solution of the appropriate pyridazine 1 (0.7mmol) and KOtBu (0.84 mmol) in toluene (10 mL), and the mixture was stirred at r.t. untilpyri-dazine 1 was consumed (TLC). 10percent aq NaOH (50 mL) and CH2Cl2 (30 mL) wereadded to the mixture with stirring. The organic layer was separated, washed with H2O (50mL), dried (MgSO4), and concentrated under reduced pressure. The residue was transferredto an open-bed column of silica gel (2.5 × 4 cm), which was eluted with hexane–EtOAc (3:1)to give the symmetric carbonates 2, or the asymmetric carbonates 4 or 6, and then eluted withEtOAc to isolate 4, 5-dichloropyridazin-3(2H)-one quantitatively for reuse.General procedure: To a solution ofalcohol (or thiol) 4 (0.7 mmol) and AlCl3 (0.7 mmol) intoluene (10 mL), compound 3 (0.7 mmol) was added. Themixture was stirred at room temperature until compound 3was consumed, as determined by TLC. A 10percent aqueousNaOH solution (50 mL) and dichloromethane (30 mL) wereadded to the reaction mixture with stirring. The organic layerwas extracted and washed water (50 mL), and dried overanhydrous magnesium sulfate, and the solvent was evaporatedunder the reduced pressure. The resulting residue wastransferred to an open-bed silica gel column (2.5 × 4 cm).The column was eluted with n-hexane/ethyl acetate (3:1, v/v) to isolate compound 5 and 6 and then ethyl acetate toisolate 4, 5-dichloropyridazin-3(2H)-one (1). The columnfractions containing pure compound were combined andevaporated under reduced pressure to give the respectiveproduct. 4, 5-Dichloropyridazin-3(2H)-one was obtainedquantitative yield and reused.EXAMPLE 5
Reagents for the synthesis of 4-nitrophenyl active esters of amino acids. Used to prepare symmetric and asymmetric urea.
Computed Properties
Molecular Weight:304.21
XLogP3:3.3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:304.03315060
Monoisotopic Mass:304.03315060
Topological Polar Surface Area:127
Heavy Atom Count:22
Complexity:377
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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