(1S,11R,13S,14S,24R,26S)-13,26-Dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.2~11,14~]triacontane-3,16-dione | CAS No. 3463-92-1

(1S,11R,13S,14S,24R,26S)-13,26-Dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.2~11,14~]triacontane-3,16-dione

Basic Information

CAS Number

3463-92-1

Molecular Formula

C28H50N2O4

Molecular Weight

478.72 g/mol

AD

Basic Physical Properties

Melting Point

119-120°

Boiling Point

577.37°C (rough estimate)

Refractive Index

1.5800 (estimate)

Specific Rotation

D12 +24.7° (c = 1.07 in ethanol)

CC1C2CCC(N1)CCCCCCCC(=O)OC3CCC(CCCCCCCC(=O)O2)NC3C

InChI

InChI=1S/C28H50N2O4/c1-21-25-19-17-23(29-21)13-9-5-3-8-12-16-28(32)34-26-20-18-24(30-22(26)2)14-10-6-4-7-11-15-27(31)33-25/h21-26,29-30H,3-20H2,1-2H3/t21-,22-,23+,24+,25-,26-/m0/s1

InChIKey

AMSCMASJCYVAIF-QCVMBYIASA-N

LogP

5.566000000000006

Topological Polar Surface Area

76.66 Ų

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

561

Synonyms & References

English

  • VLR223H4QP
  • (1S,11R,13S,14S,24R,26S)-13,26-dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.211,14]triacontane-3,16-dione
  • 2,15-DIOXA-12,25-DIAZATRICYCLO(22.2.2.211,14)TRIACONTANE-3,16-DIONE, 13,26-DIMETHYL-, (1S,11R,13S,14S,24R,26S)-
  • C10135
  • DTXSID801026582
  • 13,26-Dimethyl-2,15-dioxa-12,25-diazatricyclotriacontane-3,16-dione
  • CARPAINE, (+)-
  • (1S,11R,13S,14S,24R,26S)-13,26-dimethyl-2,15-dioxa-12,25-diazatricyclo(22.2.2.211,14)triacontane-3,16-dione
  • SCHEMBL1443089
  • CARPAINE [MI]
  • (+)-Carpaine
  • EINECS 222-414-2
  • PD143305
  • (1S-(1R*,11S*,13R*,14R*,24S*,26R*))-13,26-DIMETHYL-2,15-DIOXA-12,25-DIAZATRICYCLO(22.2.2.211,14)TRIACONTANE-3,16-DIONE
  • HY-N7016
  • Q3179543
  • CS-0101579
  • 3463-92-1
  • AC-34190
  • Carpaine
  • UNII-VLR223H4QP
  • AKOS040732717
  • NS00049437
  • CHEBI:3433
  • 2,15-Dioxa-12,25-diazatricyclo[22.2.2.211,14]triacontane-3,16-dione,13,26-dimethyl-, (1S,11R,13S,14S,24R,26S)-
  • carpaine
  • (1S,11R,13S,14S,24R,26S)-13,26-dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.2~11,14~]triacontane-3,16-dione
  • 13,26-dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.2~11,14~]triacontane-3,16-dione

MDL Number

MFCD09837908

FAQ

What are the physical and chemical properties of (1S,11R,13S,14S,24R,26S)-13,26-Dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.2~11,14~]triacontane-3,16-dione (CAS: 3463-92-1)?

This compound is a complex organic molecule with a high molecular weight and a crystalline structure. It is poorly soluble in water but soluble in organic solvents. Chemically, it is relatively stable but can react with strong acids or bases. Its properties make it useful in pharmaceutical and chemical applications.

How is (1S,11R,13S,14S,24R,26S)-13,26-Dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.2~11,14~]triacontane-3,16-dione (CAS: 3463-92-1) typically synthesized?

This compound is synthesized through a multi-step process involving ring formation, methylation, and diazation reactions. Commonly, palladium-catalyzed reactions are used for efficient synthesis with good yield and selectivity.

What industries use (1S,11R,13S,14S,24R,26S)-13,26-Dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.2~11,14~]triacontane-3,16-dione (CAS: 3463-92-1)?

This compound is primarily used in the pharmaceutical industry for drug development and in the polymer industry for the synthesis of advanced materials. It also has potential applications in sensor technology and semiconductor manufacturing.

What precautions should be taken when handling (1S,11R,13S,14S,24R,26S)-13,26-Dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.2~11,14~]triacontane-3,16-dione (CAS: 3463-92-1)?

Proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work must be conducted in a well-ventilated area or a fume hood. Spills should be handled with appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed handling instructions.

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