Benzyl N-hydroxycarbamate
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Benzyl N-hydroxycarbamate
structure -
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CAS No:
3426-71-9
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Formula:
C8H9NO3
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Chemical Name:
Benzyl N-hydroxycarbamate
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Synonyms:
Carbamic acid,N-hydroxy-,phenylmethyl ester;Carbamic acid,hydroxy-,benzyl ester;Carbamic acid,hydroxy-,phenylmethyl ester;Benzyl N-hydroxycarbamate;N-Benzyloxycarbonylhydroxylamine;N-Hydroxycarbamic acid benzyl ester;NSC 528506;Benzyl hydroxycarbamate;N-Cbz-hydroxylamine
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CAS No:
Benzyl N-hydroxycarbamate Basic Attributes
167.16
167.16
1074034
918-213-0
528506
DTXSID20187827
2924299090
Characteristics
58.6
1.2
1.3±0.1 g/cm3
68-69 °C @ Solvent: Diethyl ether, Ligroine
373.4°C at 760 mmHg
179.6±22.1 °C
1.560
2-8°C
Safety Information
NONH for all modes of transport
3
22-24/25
FB1600000
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, P501
H302
|Warning|H302 (100%): 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, P322, P330, P332+P313, P337+P313, P362, P363, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Benzyl N-hydroxycarbamate Use and Manufacturing
92.9 g (0.876 mol) of Na2CO3 and 300 mL of purified water were added to a 1L three-necked flask, and Na2CO3 was completely dissolved by mechanical stirring. 46.83 g (0.674 mol) of hydroxylamine hydrochloride was added, and 220 mL was added dropwise with stirring at room temperature.100g (0.587mol) benzyl chloroformate solution in dichloromethane, about 4h drop;After stirring at room temperature for 1 h, 300 mL of purified water was added and the layers were separated. The aqueous layer was extracted with dichloromethane (150 mL×3); the dichloromethane phases were combined, washed with 300 mL of saturated saline, and dried over 20.0 g of anhydrous sodium sulfate; The filtrate was distilled under reduced pressure at 45°C to remove the solvent to obtain crude compound I.The crude product was dissolved in 100 mL of dichloromethane to completely dissolve the solution. After cooling and cooling in an ice-water bath, 300 mL of petroleum ether was added dropwise. The solution was crystallized at 0° C. for 1 h and suction-filtered with pre-chilled (200 mL, petroleum ether: dichloromethane=3: 1, the volume ratio) was washed with a mixed solvent and dried under reduced pressure at 35° C. for 5 h to obtain 63.0 g of a white powdery solid with an overall yield of 64percent.Method B. Hydroxylamine hydrochloride (8.31 g, 120 mmol) is dissolved in water (200 mL) followed by the introduction of sodium bicarbonate (17.7 g, 211 mmol). Then CH
Computed Properties
Molecular Weight:167.16
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:167.058243149
Monoisotopic Mass:167.058243149
Topological Polar Surface Area:58.6
Heavy Atom Count:12
Complexity:143
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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