tert-butyl rel-(3aS,5r,6aR)-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate | CAS No. 650578-12-4

tert-butyl rel-(3aS,5r,6aR)-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate

Basic Information

CAS Number

650578-12-4

Molecular Formula

C13H23NO3

Molecular Weight

239.31 g/mol

AD

Basic Physical Properties

O=C(OC(C)(C)C)N1CC2C(C1)CC(CO)=C2

InChI

InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-6-10-4-9(8-15)5-11(10)7-14/h4,10-11,15H,5-8H2,1-3H3

InChIKey

ADHDVDLJRWCKEL-UHFFFAOYSA-N

LogP

1.7919

Topological Polar Surface Area

49.769999999999996 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

284

Synonyms & References

English

  • 5-Hydroxymethyl-hexahydro-cyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester
  • Cyclopenta[c]pyrrole-2(1H)-carboxylic acid, hexahydro-5-(hydroxymethyl)-, 1,1-dimethylethyl ester
  • tert-butyl 5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
  • 5-HYDROXYMETHYL-2-BOC-HEXAHYDROCYCLOPENTA[C]PYRROLE
  • tert-Butyl 5-(hydroxymethyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate
  • tert-butyl 5-(hydroxymethyl)-octahydrocyclopenta[c]pyrrole-2-carboxylate
  • XRNJMGKDWQLIJX-UHFFFAOYSA-N
  • FCH1641792
  • PB30488
  • AK171142
  • 2-Boc-5-hydroxymethyl-hexahydro-cyclope
  • tert-butyl rel-(3aS,5r,6aR)-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate

MDL Number

MFCD22415193

FAQ

What are the physical and chemical properties of tert-butyl rel-(3aS,5r,6aR)-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate (CAS: 650578-12-4)?

tert-butyl rel-(3aS,5r,6aR)-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate (CAS: 650578-12-4) is a crystalline compound with a molecular weight of approximately 318.4 g/mol. It has low solubility in water but is more soluble in organic solvents. This compound is known for its reactivity towards nucleophiles and can undergo nucleophilic substitution reactions. It is also susceptible to acidic and basic hydrolysis under certain conditions.

How is tert-butyl rel-(3aS,5r,6aR)-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate (CAS: 650578-12-4) typically synthesized?

tert-butyl rel-(3aS,5r,6aR)-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate (CAS: 650578-12-4) can be synthesized via a multi-step process involving the formation of an intermediate cyclopentapyrrole ring, followed by substitution and carboxylation reactions. Commonly, the synthesis involves the use of protecting groups and catalytic agents to achieve the desired stereochemistry and functional groups.

What industries use tert-butyl rel-(3aS,5r,6aR)-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate (CAS: 650578-12-4)?

tert-butyl rel-(3aS,5r,6aR)-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate (CAS: 650578-12-4) is primarily used in the pharmaceutical industry for the development of new drugs, as well as in research applications for sensors and semiconductors. It serves as a valuable intermediate in synthetic chemistry for the production of various bioactive compounds.

What precautions should be taken when handling tert-butyl rel-(3aS,5r,6aR)-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate (CAS: 650578-12-4)?

When handling tert-butyl rel-(3aS,5r,6aR)-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate (CAS: 650578-12-4), proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. It should be stored in a cool, dry area away from direct sunlight and flammable materials. In case of spill, the area should be ventilated and the spill cleaned up with appropriate chemicals. A safety data sheet (SDS) should be consulted for detailed handling and disposal instructions.

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