1-Benzyl-4-hydroxyisonipecotonitrile

1-Benzyl-4-hydroxyisonipecotonitrile - Names and Identifiers

Name	1-Benzyl-4-cyano-4-hydroxypiperidine
Synonyms	-4-hydroxypiperidine-4-carbonitriL 1-Benzyl-4-cyano-4-hydroxypiperidine N-BENZYL-4-CYANO-4-HYDROXYPIPERIDINE 1-Benzyl-4-hydroxyisonipecotonitrile 1-BENZYL-4-CYANO-4-HYDROXYPIPERIDINE 1-Benzyl-4-cyano-4-hydroxypiperidine HCl 1-benzyl-4-hydroxypiperidine-4-carbonitrile 4-Hydroxy-1-(phenylmethyl)-4-piperidinecarbonitrile
CAS	6094-60-6
EINECS	228-043-2
InChI	InChI=1/C13H16N2O/c14-11-13(16)6-8-15(9-7-13)10-12-4-2-1-3-5-12/h1-5,16H,6-10H2

1-Benzyl-4-hydroxyisonipecotonitrile - Physico-chemical Properties

Molecular Formula	C13H16N2O
Molar Mass	216.28
Density	1.0590 (rough estimate)
Melting Point	175-177°C (dec.)(lit.)
Boling Point	356.7°C (rough estimate)
Flash Point	195.4°C
Vapor Presure	4.22E-07mmHg at 25°C
Appearance	Crystalline Powder and Chunks
Color	Yellow to beige
BRN	476287
pKa	11.01±0.20(Predicted)
Storage Condition	Room Temprature
Refractive Index	1.6450 (estimate)
MDL	MFCD00023752

1-Benzyl-4-hydroxyisonipecotonitrile - Risk and Safety

Hazard Symbols	Xn - Harmful
Risk Codes	R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing.
UN IDs	3276
WGK Germany	3
HS Code	29333999
Hazard Class	6.1
Packing Group	III

1-Benzyl-4-hydroxyisonipecotonitrile - Introduction

It is an organic compound whose chemical formula is C12H14N2O. The following is a description of its nature, use, preparation and safety information:

Nature:
is a white crystalline solid with a special molecular structure. It is soluble in non-polar organic solvents such as ethanol and dichloromethane at room temperature.

Use:
is an important organic synthesis intermediates. It can be used to synthesize various organic compounds, such as drugs, dyes and pesticides. The compound also has a wide range of applications in the field of medicine, and plays an important role in the synthesis of some anti-AIDS and anti-cancer drugs.

Preparation Method:
The preparation of the lamp can be carried out by the following steps:
1. reacting 4-cyano-4-hydroxypiperidine with benzyl halide in the presence of a base to generate benzyl-4-cyano-4-hydroxypiperidine;
2. After crystallization and purification steps, the pure product was obtained.

Safety Information:
Toxicity and low risk. However, as a chemical substance, it should be used in strict accordance with safety procedures to avoid inhalation, ingestion and skin contact. At the same time, it should be operated in a well-ventilated place and avoid contact with oxidants. During handling and storage, care should be taken to isolate from other chemicals and avoid exposure to high temperatures or sources of ignition. In the event of any accident, seek immediate assistance from a medical professional.

Last Update：2024-04-09 21:11:58