2-Methyl-2-propanyl (2R)-2-cyano-1-pyrrolidinecarboxylate

Basic Information

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CAS Number

228244-20-0

Molecular Formula

C10H16N2O2

Molecular Weight

17.03 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

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

32-36 °C

Boiling Point

307.9 ℃ at 760 mmHg

Density

1.08

Refractive Index

1.488

SMILES

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CC(C)(C)OC(=O)N1CCCC1C#N

InChI

InChI=1S/C10H16N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h8H,4-6H2,1-3H3/t8-/m1/s1

InChIKey

MDMSZBHMBCNYNO-MRVPVSSYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

272

Safety Information

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GHS Hazard Pictograms

H301

H315

H319

H317

H335

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

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

Sensitiveness

Moisture & Light Sensitive

Synonyms & References

English

DTXSID90373538
228244-20-0
SCHEMBL2896482
(R)-(+)-1-BOC-2-CYANOPYRROLIDINE
(R)-(+)-1-Boc-2-pyrrolidinecarbonitrile
MFCD06411382
AS-45737
AC-2244
(R)-2-CYANO-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
CS-D0670
(R)-(+)-1-Boc-2-pyrrolidinecarbonitrile, 97%
(R)-tert-butyl 2-cyanopyrrolidine-1-carboxylate
tert-butyl (2R)-2-cyanopyrrolidine-1-carboxylate
(R)-N-Boc-2-cyanopyrrolidine
(R)-tert-butyl 2-cyanopyrrolidine-1-carboxylate;(R)-1-N-BOC-2-CYANO-PYRROLIDINE
(R)-1-Boc-2-cyanopyrrolidine
Q-102170
Z1255383736
(R)-1-N-Boc-2-cyanopyrrolidine
(R)-1-N-BOC-2-CYANO-PYRROLIDINE
MDMSZBHMBCNYNO-MRVPVSSYSA-N
A4858
B66765
EN300-210993
AKOS005258740
(R)-1-Boc-2-Cyanopyrrolidine
(R)-(+)-1-Boc-2-cyanopyrrolidine
R-(+)-1-Boc-2-pyrrolidinecarbonitrile
(R)-1-N-Boc-2-cyano-pyrrolidine
(R)-(+)-1-BOC-PYRROLIDINE-2-CARBONITRILE
(R)-N-BOC-2-pyrrolidinonitrile

MDL Number

MFCD06411382

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl (2R)-2-cyano-1-pyrrolidinecarboxylate (CAS: 228244-20-0)?

2-Methyl-2-propanyl (2R)-2-cyano-1-pyrrolidinecarboxylate is a crystalline compound with a molecular weight of approximately 211.21 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. The compound is known for its reactivity towards nucleophiles and can undergo substitution reactions. It is stable under normal laboratory conditions but should be handled with care due to its chemical reactivity.

How is 2-Methyl-2-propanyl (2R)-2-cyano-1-pyrrolidinecarboxylate (CAS: 228244-20-0) typically synthesized?

2-Methyl-2-propanyl (2R)-2-cyano-1-pyrrolidinecarboxylate is typically synthesized via a multi-step process involving the formation of a cyano derivative of a pyrrolidine followed by the introduction of a 2-methyl-2-propanol group. Commonly used catalysts include transition metals, and the reaction is typically conducted under anhydrous conditions to ensure high yield and selectivity.

What industries use 2-Methyl-2-propanyl (2R)-2-cyano-1-pyrrolidinecarboxylate (CAS: 228244-20-0)?

2-Methyl-2-propanyl (2R)-2-cyano-1-pyrrolidinecarboxylate finds applications in the pharmaceutical industry for the synthesis of certain drugs, and in the chemical industry for the development of new materials. It is also used in the production of sensors and semiconductors, where its unique properties contribute to the performance of these devices.

What precautions should be taken when handling 2-Methyl-2-propanyl (2R)-2-cyano-1-pyrrolidinecarboxylate (CAS: 228244-20-0)?

When handling 2-Methyl-2-propanyl (2R)-2-cyano-1-pyrrolidinecarboxylate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight. In case of a spill, use appropriate spill kits and ensure the area is well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed safety information and procedures.