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1-Benzyl-4-hydroxypiperidine

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Name

1-Benzyl-4-hydroxypiperidine

EINECS 225-226-9
CAS No. 4727-72-4 Density 1.106 g/cm3
PSA 23.47000 LogP 1.58120
Solubility N/A Melting Point 60-65 °C
Formula C12H17NO Boiling Point 294.4 °C at 760 mmHg
Molecular Weight 191.273 Flash Point 123.5 °C
Transport Information UN 2811 6.1/PG 3 Appearance white to yellowish crystalline powder
Safety 26-45-37/39-36 Risk Codes 25-36/37/38-20/21/22
Molecular Structure Molecular Structure of 4727-72-4 (1-Benzyl-4-hydroxypiperidine) Hazard Symbols ToxicT, CorrosiveC, IrritantXi, HarmfulXn
Synonyms

4-Piperidinol,1-benzyl- (6CI,7CI,8CI);1-(Phenylmethyl)-4-piperidinol;1-Benzyl-4-piperidinol;4-Hydroxy-1-benzylpiperidine;4-Hydroxy-N-benzylpiperidine;N-Benzyl-4-hydroxypiperidine;NSC 72991;

Article Data 37

1-Benzyl-4-hydroxypiperidine Specification

The IUPAC name of 1-Benzyl-4-hydroxypiperidine is 1-benzylpiperidin-4-ol. With the CAS registry number 4727-72-4, it is also named as 4-Hydroxy-N-benzylpiperidine. The product's categories are Alcohols and Derivatives; Non-Chiral Heterocyclic Compounds. Besides, it is white to yellowish crystalline powder, which should be sealed in a dark, ventilated and dry place. In addition, its molecular formula is C12H17NO and molecular weight is 191.27.

The other characteristics of this product can be summarized as: (1)EINECS: 225-226-9; (2)ACD/LogP: 0.91; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -1.69; (5)ACD/LogD (pH 7.4): 0; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 9.15; (10)#H bond acceptors: 2; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 3; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 57.38 cm3; (15)Molar Volume: 172.8 cm3; (16)Surface Tension: 48.4 dyne/cm; (17)Density: 1.106 g/cm3; (18)Flash Point: 123.5 °C; (19)Melting Point: 60-65 °C; (20)Enthalpy of Vaporization: 56.4 kJ/mol; (21)Boiling Point: 294.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000738 mmHg at 25 °C.

Preparation of 1-Benzyl-4-hydroxypiperidine: this chemical can be prepared by 1-benzyl-piperidin-4-one.



This reaction needs Gd(i-PrO)3 and propan-2-ol at temperature of 80 °C. The reaction time is 2 hours. The yield is 99 %.

Uses of 1-Benzyl-4-hydroxypiperidine: this chemical is a piperidine based pesticide. Additionally, it can react with (4-fluoro-phenyl)-methyl sulfide to get 1-benzyl-4-(4-methylsulfanyl-phenoxy)-piperidine.



This reaction needs NaH and dimethylformamide at temperature of 50 °C for 30 min. The yield is 62 %.

When you are using this chemical, please be cautious about it as the following: it is harmful by inhalation, in contact with skin and if swallowed. And it is toxic if swallowed. It also irritates to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Moreover, you should wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES: OC2CCN(Cc1ccccc1)CC2
(2)InChI: InChI=1/C12H17NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2
(3)InChIKey: BPPZXJZYCOETDA-UHFFFAOYAO

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