2-Methyl-2-propanyl 2-cyano-1-piperidinecarboxylate

Basic Information

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CAS Number

153749-89-4

Molecular Formula

C11H18N2O2

Molecular Weight

199.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

62-66 °C

Boiling Point

325.3℃ at 760 mmHg

SMILES

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CC(C)(C)OC(=O)N1CCCCC1C#N

InChI

InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-7-5-4-6-9(13)8-12/h9H,4-7H2,1-3H3

InChIKey

LKAJZBMOVZIKHA-UHFFFAOYSA-N

LogP

2.7959000000000014

Topological Polar Surface Area

29.54 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

285

Safety Information

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GHS Hazard Pictograms

H302

H317

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

RAC 1-BOC-2-CYANOPIPERIDINE
1-piperidinecarboxylic acid, 2-cyano-, 1,1-dimethylethyl ester, (2s)-
MB02080
(+/-)-1-n-boc-2-cyano-piperidine
CS-D0646
MFCD01861221
TS-02991
1-N-Boc-2-Cyanopiperidine
Z851015570
A3382
AM20080391
DIMETHYL 3-(AMINOMETHYL)BENZYLPHOSPHONATE
DTXSID50373534
1-Piperidinecarboxylic acid, 2-cyano-, 1,1-dimethylethyl ester
FT-0773897
1-Boc-2-cyanopiperidine
2-cyano-piperidine-1-carboxylic acid tert-butyl ester
SY025697
LKAJZBMOVZIKHA-UHFFFAOYSA-N
(R)-1-Boc-piperidine-2-carbonitrile
FT-0601673
EN300-56142
1-boc-2-Cyano-piperidine
AKOS005146147
SCHEMBL3966030
DS-1465
tert-Butyl 2-cyanopiperidine-1-carboxylate
1-Boc-piperidine-2-carbonitrile, 95%
SY097397
MFCD05864606
FT-0655756

MDL Number

MFCD01861221

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl 2-cyano-1-piperidinecarboxylate (CAS: 153749-89-4)?

2-Methyl-2-propanyl 2-cyano-1-piperidinecarboxylate is a crystalline solid with a molecular weight of approximately 182.24 g/mol. It is slightly soluble in water and more soluble in organic solvents. Chemically, it is reactive towards nucleophiles and can undergo substitution reactions. The compound is stable under normal conditions but should be stored in a dry, cool place away from direct sunlight.

How is 2-Methyl-2-propanyl 2-cyano-1-piperidinecarboxylate (CAS: 153749-89-4) typically synthesized?

2-Methyl-2-propanyl 2-cyano-1-piperidinecarboxylate is typically synthesized through a multi-step procedure involving the amidation of 2-cyano-1-piperidinecarboxylic acid with 2-methyl-2-propanol. Commonly used catalysts include DMAP, and the reaction proceeds under mild conditions. The yield is typically around 80-85%. The product is purified by recrystallization from appropriate solvents.

What industries use 2-Methyl-2-propanyl 2-cyano-1-piperidinecarboxylate (CAS: 153749-89-4)?

2-Methyl-2-propanyl 2-cyano-1-piperidinecarboxylate is used in the pharmaceutical industry for the synthesis of various drugs due to its structural properties. It also finds applications in the polymer industry for developing functional polymers. Additionally, it is utilized in the development of sensors and semiconductors for its unique chemical characteristics.

What precautions should be taken when handling 2-Methyl-2-propanyl 2-cyano-1-piperidinecarboxylate (CAS: 153749-89-4)?

When handling 2-Methyl-2-propanyl 2-cyano-1-piperidinecarboxylate, it is essential to use personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The substance should be stored in a cool, dry place away from direct sunlight and flammable materials. In case of a spill, it should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.