(1S,3aR,6aS)-tert-Butyl octahydrocyclopenta[c]pyrrole-1-carboxylate oxalate | CAS No. 907606-68-2

(1S,3aR,6aS)-tert-Butyl octahydrocyclopenta[c]pyrrole-1-carboxylate oxalate

Basic Information

CAS Number

907606-68-2

Molecular Formula

C14H23NO6

Molecular Weight

301.34 g/mol

AD

Basic Physical Properties

CC(C)(C)OC(=O)C1C2CCCC2CN1.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H21NO2.C2H2O4/c1-12(2,3)15-11(14)10-9-6-4-5-8(9)7-13-10;3-1(4)2(5)6/h8-10,13H,4-7H2,1-3H3;(H,3,4)(H,5,6)/t8-,9-,10-;/m0./s1

InChIKey

ZCTXDLWZMFBZEV-PUBMXKGKSA-N

LogP

0.8718000000000001

Topological Polar Surface Area

112.93 Ų

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

328

Safety Information

View Safety Information

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
H332 Harmful if inhaled
Acute toxicity, inhalation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • (1S,3aR,6aS)-tert-Butyl octahydrocyclopenta[c]pyrrole-1-carboxylate oxalate
  • (1S,3aR,6aS)-Octahydrocyclopenta[c]pyrrole-1-carboxylic acid tert-butyl ester oxalate
  • (1S,3AR,6aS)-tert-Butyl octahydrocyclopenta-[c]pyrrole-1-carboxylate oxalate
  • (3aR,6aS)-1-(tert-butoxycarbonyl)octahydrocyclopenta[c]pyrrol-2-iuM carboxyfor
  • (3AR,6AS)-1-(TERT-BUTOXYCARBONYL)OCTAHYDROCYCLOPENTA[C]PYRROL-2-IUM CARBOXYFORMATE
  • Cyclopenta[c]pyrrole-1-carboxylic acid, octahydro-, 1,1-dimethylethyl ester, (1S,3aR,6aS)-, et...
  • tert-butyl (3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylate,oxalic acid
  • ZCTXDLWZMFBZEV-PUBMXKGKSA-N
  • EBD969
  • Cyclopenta[c]pyrrole-1-carboxylic acid, octahydro-, 1,1-dimethylethyl ester, (1S,3aR,6aS)-, ethanedioate (1:1)
  • OR350352
  • ST2407852
  • AX8163640
  • Z5320
  • oxalic acid tert-butyl (1S,3aR,6aS)-octa
  • tert-butyl (3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylate;oxalic acid
  • Cyclopenta[c]pyrrole-1-carboxylic acid, octahydro-, 1,1-dimethylethylester, (1S,3aR,6aS)-, ethanedioate (1:1)
  • (3aR,6aS)-1-(tert-butoxycarbonyl)octahydrocyclopenta[c]pyrrol-2-ium carboxyformate
  • MFCD22124391
  • oxalic acid; tert-butyl (1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylate
  • Cyclopenta[c]pyrrole-1-carboxylic acid, octahydro-, 1,1-diMethylethyl ester, (1S,3aR,6aS)-, ethanedioate
  • DTXSID10736388
  • CS-M2255
  • AKOS016000239
  • Oxalic acid--tert-butyl (1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylate (1/1)
  • AC-32034
  • 907606-68-2
  • (1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylic acid t-butyl ester oxalic acid
  • SCHEMBL1569384
  • DS-0949
  • (1S,3aR,6aS)-tert-Butyloctahydrocyclopenta[c]pyrrole-1-carboxylateoxalate

MDL Number

MFCD22124391

FAQ

What are the physical and chemical properties of (1S,3aR,6aS)-tert-Butyl octahydrocyclopenta[c]pyrrole-1-carboxylate oxalate (CAS: 907606-68-2)?

(1S,3aR,6aS)-tert-Butyl octahydrocyclopenta[c]pyrrole-1-carboxylate oxalate is a white crystalline solid with a molecular weight of approximately 312.44 g/mol. It has a moderate solubility in organic solvents like methanol and ethanol, but is sparingly soluble in water. It exhibits good stability under normal conditions but is susceptible to hydrolysis in aqueous solutions. It is typically used in organic synthesis as a building block for various functionalized compounds.

How is (1S,3aR,6aS)-tert-Butyl octahydrocyclopenta[c]pyrrole-1-carboxylate oxalate (CAS: 907606-68-2) typically synthesized?

(1S,3aR,6aS)-tert-Butyl octahydrocyclopenta[c]pyrrole-1-carboxylate oxalate is synthesized via a multi-step process. The key steps include the synthesis of the oxime from the corresponding carboxylic acid, followed by an intramolecular cyclization and oxalate esterification. Common solvents include dichloromethane and acetonitrile, with triethylamine as a base. The overall yield is around 70-80%, with good regioselectivity and stereoselectivity.

What industries use (1S,3aR,6aS)-tert-Butyl octahydrocyclopenta[c]pyrrole-1-carboxylate oxalate (CAS: 907606-68-2)?

(1S,3aR,6aS)-tert-Butyl octahydrocyclopenta[c]pyrrole-1-carboxylate oxalate finds applications in the pharmaceutical industry as an intermediate in the synthesis of complex organic molecules. It is also used in polymer chemistry, where it serves as a monomer or building block. Its use in sensor technology and semiconductor devices is also being explored, though less extensively than in pharmaceutical and polymer industries.

What precautions should be taken when handling (1S,3aR,6aS)-tert-Butyl octahydrocyclopenta[c]pyrrole-1-carboxylate oxalate (CAS: 907606-68-2)?

When handling (1S,3aR,6aS)-tert-Butyl octahydrocyclopenta[c]pyrrole-1-carboxylate oxalate, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up carefully, using appropriate absorbents, and the area should be rinsed thoroughly. Refer to the safety data sheet (SDS) for detailed handling and disposal instructions. Storage should be in a cool, dry place, away from direct sunlight and heat sources.

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