CAS No.4727-72-4,1-Benzyl-4-hydroxypiperidine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4727-72-4
Name:	1-Benzyl-4-hydroxypiperidine
Article Data:	37

Formula:	C₁₂H₁₇NO
Molecular Weight:	191.273
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;
EINECS:	225-226-9
Density:	1.106 g/cm³
Melting Point:	60-65 °C
Boiling Point:	294.4 °C at 760 mmHg
Flash Point:	123.5 °C
Appearance:	white to yellowish crystalline powder
Hazard Symbols:	T, C, Xi, Xn
Risk Codes:	25-36/37/38-20/21/22
Safety:	26-45-37/39-36
Transport Information:	UN 2811 6.1/PG 3
PSA:	23.47000
LogP:	1.58120

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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