2-Methyl-2-propanyl 3-cyano-1-piperazinecarboxylate

Basic Information

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CAS Number

859518-35-7

Molecular Formula

C10H17N3O2

Molecular Weight

211.26 g/mol

Basic Physical Properties

Boiling Point

322.9°C at 760 mmHg

Density

1.12

Flash Point

149.1℃

SMILES

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O=C(N1CC(C#N)NCC1)OC(C)(C)C

InChI

InChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)13-5-4-12-8(6-11)7-13/h8,12H,4-5,7H2,1-3H3

InChIKey

CBFXRUGJRMBDFG-UHFFFAOYSA-N

LogP

1.54868

Complexity

287

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

4-BOC-2-CYANOPIPERIDINE
1-Boc-3-cyanopiperazine
1-Piperazinecarboxylic acid, 3-cyano-, 1,1-dimethylethyl ester
4-N-Boc-2-cyanopiperazine
4-N-Boc-2-cyanopiperidine
tert-butyl 3-cyanopiperazine-1-carboxylate
1-N-Boc-3-cyanopiperazine
(S)-1-Boc-3-cyanopiperazine
(R)-1-Boc-3-cyanopiperazine
4-Boc-2-Cyanopiperazine
KSC916M9H
CBFXRUGJRMBDFG-UHFFFAOYSA-N
KM2371
FCH1620221
TRA0077599
SY018062
AB0061566
ST2419938
AX8040418

MDL Number

MFCD09991479

FAQ

What regulatory guidelines apply to 2-Methyl-2-propanyl 3-cyano-1-piperazinecarboxylate (CAS: 859518-35-7)?

2-Methyl-2-propanyl 3-cyano-1-piperazinecarboxylate (CAS: 859518-35-7) should comply with the GHS classification, which includes its hazardous properties for transportation and workplace safety. In the EU, it falls under the REACH regulations, requiring manufacturers and importers to register substances above a certain tonnage. Additionally, it is subject to FDA and EPA regulations for chemical products, including health and environmental impacts.

Are there alternatives to 2-Methyl-2-propanyl 3-cyano-1-piperazinecarboxylate in synthesis?

There are alternative reagents and methods that can be used in the synthesis of 2-Methyl-2-propanyl 3-cyano-1-piperazinecarboxylate. For example, using 2-methyl-2-propanol and 3-cyanopiperazine directly, or employing other functional group transformations. These alternatives can vary in reactivity, yield, and cost, making them suitable for different synthetic pathways.

What is the market or research trend for 2-Methyl-2-propanyl 3-cyano-1-piperazinecarboxylate?

The market for 2-Methyl-2-propanyl 3-cyano-1-piperazinecarboxylate is growing due to its applications in pharmaceuticals, agrochemicals, and research. Recent research trends focus on developing new synthetic methods and exploring its potential in medicinal chemistry. The compound's unique properties make it an attractive target for further investigation in drug discovery and chemical innovation.

How should waste containing 2-Methyl-2-propanyl 3-cyano-1-piperazinecarboxylate be handled?

Waste containing 2-Methyl-2-propanyl 3-cyano-1-piperazinecarboxylate should be collected and disposed of in accordance with local regulations. It is recommended to use appropriate containers and ensure proper labeling. The waste should be incinerated or disposed of through professional waste disposal services, ensuring that all environmental protection measures are followed to prevent contamination and protect public health. This compound is classified as hazardous, so it must be handled with care and in compliance with all relevant environmental regulations.