2-Methyl-2-propanyl 3-amino-3-cyano-1-pyrrolidinecarboxylate | CAS No. 871115-54-7

2-Methyl-2-propanyl 3-amino-3-cyano-1-pyrrolidinecarboxylate

Basic Information

CAS Number

871115-54-7

Molecular Formula

C10H17N3O2

Molecular Weight

200.28 g/mol

AD

Basic Physical Properties

CC(C)(C)OC(=O)N1CCC(C1)(C#N)N

InChI

InChI=1S/C10H17N3O2/c1-9(2,3)15-8(14)13-5-4-10(12,6-11)7-13/h4-5,7,12H2,1-3H3

InChIKey

NFLVTBMZGLRSPT-UHFFFAOYSA-N

LogP

1.3445999999999998

Topological Polar Surface Area

55.56 Ų

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

312

Synonyms & References

English

  • tert-butyl 3-amino-3-cyanopyrrolidine-1-carboxylate
  • SCHEMBL5568341
  • WJB11554
  • AKOS016008727
  • AS-51027
  • 1-Boc-3-Amino-3-cyanopyrrolidine
  • DTXSID20726412
  • SY100263
  • FT-0686232
  • MFCD14582455
  • 1-Pyrrolidinecarboxylic acid, 3-amino-3-cyano-, 1,1-dimethylethyl ester
  • tert-butyl3-amino-3-cyanopyrrolidine-1-carboxylate
  • A862849
  • CS-W000670
  • 871115-54-7
  • P11737
  • tert-Butyl 3-amino-3-cyanopyrrolidine-1-carboxylate
  • Carbamic acid, (tetrahydro-5-oxo-3-furanyl)-, phenylmethyl ester (9CI)

MDL Number

MFCD14582455

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl 3-amino-3-cyano-1-pyrrolidinecarboxylate (CAS: 871115-54-7)?

2-Methyl-2-propanyl 3-amino-3-cyano-1-pyrrolidinecarboxylate is a colorless crystalline solid with a molecular weight of approximately 245.25 g/mol. It has a high solubility in organic solvents such as methanol and ethanol, but is poorly soluble in water. This compound is known for its reactivity, particularly in nucleophilic substitution and condensation reactions.

How is 2-Methyl-2-propanyl 3-amino-3-cyano-1-pyrrolidinecarboxylate (CAS: 871115-54-7) typically synthesized?

2-Methyl-2-propanyl 3-amino-3-cyano-1-pyrrolidinecarboxylate is typically synthesized through a multi-step process involving the reaction of 3-cyano-1-pyrrolidinecarboxylic acid with 2-methyl-2-propanol in the presence of a base. The reaction is carried out in a solvent such as ethanol, and the yield is generally high with good selectivity.

What industries use 2-Methyl-2-propanyl 3-amino-3-cyano-1-pyrrolidinecarboxylate (CAS: 871115-54-7)?

2-Methyl-2-propanyl 3-amino-3-cyano-1-pyrrolidinecarboxylate is used in the pharmaceutical industry for the synthesis of certain drugs, particularly as an intermediate. It is also utilized in the polymer industry for the production of advanced materials and in the sensor industry for the development of chemical sensors.

What precautions should be taken when handling 2-Methyl-2-propanyl 3-amino-3-cyano-1-pyrrolidinecarboxylate (CAS: 871115-54-7)?

When handling 2-Methyl-2-propanyl 3-amino-3-cyano-1-pyrrolidinecarboxylate, it is important to use proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be handled with caution, and appropriate safety data sheet (SDS) guidelines should be followed for clean-up and disposal. Storage should be in a cool, dry place, away from heat sources and incompatible materials.

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