tert-butyl 4-(cyanomethyl)piperidine-1-carboxylate

tert-butyl 4-(cyanomethyl)piperidine-1-carboxylate - Names and Identifiers

Name	tert-butyl 4-(cyanomethyl)piperidine-1-carboxylate
Synonyms	1-Boc-3-CyanoMethylpiperidine 1-BOC-4-cyanomethylpiperidine N-Boc-piperidine-4-acetonitrile (1-Boc-piperidin-4-yl)acetonitrile (1-BOC-piperidin-4-yl)acetonitrile tert-butyl 4-(cyanomethyl)piperidine-1-carboxylate Tert-Butyl 4-(cyanomethyl)piperidine-1-carboxylate 4-CyanoMethyl-piperidine-1-carboxylicacidtert-butylester 1-Piperidinecarboxylic acid, 4-(cyanomethyl)-, 1,1-dimethylethyl ester
CAS	256411-39-9
InChI	InChI=1/C12H20N2O2/c1-12(2,3)16-11(15)14-8-5-10(4-7-13)6-9-14/h10H,4-6,8-9H2,1-3H3

tert-butyl 4-(cyanomethyl)piperidine-1-carboxylate - Physico-chemical Properties

Molecular Formula	C12H20N2O2
Molar Mass	224.3
Density	1.040±0.06 g/cm3(Predicted)
Boling Point	344.3±15.0 °C(Predicted)
Flash Point	162.011°C
Vapor Presure	0mmHg at 25°C
pKa	-1.91±0.40(Predicted)
Storage Condition	2-8°C
Refractive Index	1.475
MDL	MFCD09801019

tert-butyl 4-(cyanomethyl)piperidine-1-carboxylate - Risk and Safety

Hazard Class

IRRITANT

tert-butyl 4-(cyanomethyl)piperidine-1-carboxylate - Introduction

tert-butyl 4-(cyanomethyl)piperidine-1-carboxylate is an organic compound with the chemical formula C13H20N2O2. It has the following properties:

1. Appearance: colorless or light yellow liquid or crystal.
2. Solubility: Soluble in common organic solvents, such as ethanol and dimethylformamide.
3. Melting Point: about 30-35 ℃.
4. Stability: relatively stable at room temperature, but decomposition may occur when encountering light, heat, oxidants and acids.

The main uses of tert-butyl 4-(cyanomethyl)piperidine-1-carboxylate are as follows:

1. Synthetic intermediate: It is commonly used as an intermediate in organic synthesis and can be used to prepare a variety of biologically active compounds, such as drugs and pesticides.
2. Reagent: It can be used as a protecting group in organic synthesis to protect amino, hydroxyl and other reactive sites, so as to realize the control of specific chemical reactions.
3. Chemical research: It can be used for the research and development of organic synthesis methods and the synthesis of new drug molecules.

Regarding the preparation method of tert-butyl 4-(cyanomethyl)piperidine-1-carboxylate, the synthesis can usually be carried out by the following steps:

1. Select piperidine as the starting material and react with cyanated methyl to generate 4-cyanomethylpiperidine.
2. React 4-cyanomethylpiperidine with Boc protecting group to generate the protected product tert-butyl 4-(cyanomethyl)piperidine-1-carboxylate.

Some safety information to note when using and handling tert-butyl 4-(cyanomethyl)piperidine-1-carboxylate:

1. Avoid contact with skin and eyes: tert-butyl 4-(cyanomethyl)piperidine-1-carboxylate may be irritating to skin and eyes, should wear appropriate protective gloves, glasses and work clothes.
2. Avoid inhalation and ingestion: Avoid inhaling the vapor or dust of the compound, and avoid ingestion. If accidentally inhaled or ingested, should promptly seek medical attention.
3. Storage and handling: during storage and handling, it should be kept away from heat and fire sources, and placed in a sealed container to avoid contact with oxidants and acids.

Be sure to follow the relevant chemical safety practices when using this compound and refer to the safety data sheet provided by the laboratory or chemical supplier.

Last Update：2024-04-09 21:54:55