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N-Benzylhydroxylamine

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Name

N-Benzylhydroxylamine

EINECS N/A
CAS No. 622-30-0 Density 1.098g/cm3
PSA 32.26000 LogP 1.55630
Solubility N/A Melting Point ~105 °C

Formula C7H9NO Boiling Point 253.9 °C at 760 mmHg
Molecular Weight 123.155 Flash Point 135.2 °C
Transport Information N/A Appearance N/A
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 622-30-0 (N-BENZYLHYDROXYLAMINE HYDROCHLORIDE) Hazard Symbols Xi
Synonyms

Hydroxylamine,N-benzyl- (6CI,7CI,8CI);Benzylhydroxylamine;N-Benzylhydroxylamine;N-Hydroxybenzylamine;O-Benzylhydroxyamine;

Article Data 85

N-Benzylhydroxylamine Synthetic route

932-90-1

Benzaldoxime

622-30-0

N-benzyl hydroxylalmine

Conditions
ConditionsYield
With K12(Ga4(1,5-bis(2,3-dihydroxybenzamido)naphthalene))6; potassium phosphate; borane pyridine In water-d2 at 20℃; for 22h; Reagent/catalyst; Inert atmosphere; Sealed tube;100%
With Benzyltriethylammonium borohydride for 0.133333h; solid-phase conditions;95%
With sodium cyanoborohydride at 20℃;80%
29601-98-7

N-benzylhydroxylamine hydrochloride

622-30-0

N-benzyl hydroxylalmine

Conditions
ConditionsYield
With sodium hydrogencarbonate In water100%
With sodium hydrogencarbonate In methanol for 0.25h;
With 4-methyl-morpholine In dichloromethane Schlenk technique; Inert atmosphere;
622-30-0

N-benzyl hydroxylalmine

Conditions
ConditionsYield
With sodium cyanoborohydride; acetyl chloride In methanol at 0℃;94%
With hydrogenchloride; sodium cyanoborohydride In methanol at 25℃; for 4h;87%
With hydrogenchloride; sodium cyanoborohydride In methanol pH=3;61%
With hydrogenchloride; sodium cyanoborohydride In methanol at 20℃; for 3h;49%
622-32-2

(Z)-benzaldehyde oxime

622-30-0

N-benzyl hydroxylalmine

Conditions
ConditionsYield
With hydrogenchloride; sodium cyanoborohydride In methanol at 25℃; for 3.5h; Reduction;94%
100-46-9

benzylamine

A

622-30-0

N-benzyl hydroxylalmine

B

932-90-1

Benzaldoxime

Conditions
ConditionsYield
With 4a-FlEt-OOH In 1,4-dioxane at 30℃; Rate constant;A n/a
B 90%
113768-51-7

ethyl 2-benzyl-2,5-dihydro-3-methyl-5-oxoisoxazole-4-carboxylate

622-30-0

N-benzyl hydroxylalmine

Conditions
ConditionsYield
With hydrogenchloride; acetic acid In water81%
3376-26-9

N-Benzylidenebenzylamine N-oxide

622-30-0

N-benzyl hydroxylalmine

Conditions
ConditionsYield
With hydrogenchloride steam destillation;79%
With sulfuric acid In water for 4h; Heating;71%
With hydrogenchloride In water for 1h; Reflux;
100-39-0

benzyl bromide

622-30-0

N-benzyl hydroxylalmine

Conditions
ConditionsYield
With hydroxylamine monohydrate In methanol at 100℃; under 18100.7 Torr; for 0.166667h; Flow reactor; chemoselective reaction;76%
100-44-7

benzyl chloride

622-30-0

N-benzyl hydroxylalmine

Conditions
ConditionsYield
With hydroxylamine monohydrate In methanol at 100℃; under 18100.7 Torr; for 0.166667h; Flow reactor; chemoselective reaction;65%
With hydroxylamine hydrochloride; triethylamine In water; dimethyl sulfoxide at 100℃; for 1h;38%
104701-87-3

(2S)-3-(tert-butyl-dimethyl-silyloxy)-2-methyl-propanal

A

622-30-0

N-benzyl hydroxylalmine

B

112057-68-8, 299179-53-6

(R)-(-)-N-(3-t-butyldimethylsilyloxy-2-methylpropylidene)benzylamine N-oxide

Conditions
ConditionsYield
With calcium chloride In argonA n/a
B 64%

N-Benzylhydroxylamine Specification

The N-Benzylhydroxylamine, with the cas registry number 622-30-0, has the systematic name of  N-hydroxy-1-phenylmethanamine. It belongs to the category of Polyamines. And the molecular formula of the chemical is C7H9NO.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): 1.3; (5)ACD/BCF (pH 5.5): 4.76; (6)ACD/BCF (pH 7.4): 5.73; (7)ACD/KOC (pH 5.5): 100.69; (8)ACD/KOC (pH 7.4): 121.38; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47Å2; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 36.29 cm3; (15)Molar Volume: 112 cm3; (16)Polarizability: 14.39×10-24cm3; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.098 g/cm3; (19)Flash Point: 135.2 °C ; (20)Enthalpy of Vaporization: 51.91 kJ/mol; (21)Boiling Point: 253.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00923 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to the skin eyes and respiratory system. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ONCc1ccccc1
(2)InChI: InChI=1/C7H9NO/c9-8-6-7-4-2-1-3-5-7/h1-5,8-9H,6H2
(3)InChIKey: LVCDXCQFSONNDO-UHFFFAOYAD

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