2,2-Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)acetonitrile | CAS No. 1442644-14-5

2,2-Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)acetonitrile

Basic Information

CAS Number

1442644-14-5

Molecular Formula

C22H17N3O2

Molecular Weight

355.4 g/mol

AD

Basic Physical Properties

N#CC(C1=N[C@H]2c3ccccc3C[C@H]2O1)C1=N[C@H]2c3ccccc3C[C@H]2O1

InChI

InChI=1S/C22H17N3O2/c23-11-16(21-24-19-14-7-3-1-5-12(14)9-17(19)26-21)22-25-20-15-8-4-2-6-13(15)10-18(20)27-22/h1-8,16-20H,9-10H2/t17-,18-,19+,20+/m1/s1

InChIKey

PLCQFKBSQBOOOY-ZRNYENFQSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Ų

Hydrogen Bond Donor/Acceptor

3 / 1

Synonyms & References

English

  • 8H-Indeno[1,2-d]oxazole-2-acetonitrile, α-[(3aS,8aR)-3a,8a-dihydro-8H-indeno[1,2-d]oxazol-2-yl]-3a,8a-dihydro-, (3aS,8aR)-
  • 2,2-Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)acetonitrile
  • 2,2-bis((3aS,8aR)-3a,8a-dihydro-8H-indeno[1,2-d]oxazol-2-yl)acetonitrile

FAQ

What are the physical and chemical properties of 2,2-Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)acetonitrile (CAS: 1442644-14-5)?

2,2-Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)acetonitrile has a crystalline form with a molecular weight of approximately 374.41 g/mol. It is slightly soluble in water but soluble in organic solvents like methanol and dichloromethane. The compound is chemically stable but may react with strong acids or bases. It is a potent ligand and exhibits good thermal stability.

How is 2,2-Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)acetonitrile (CAS: 1442644-14-5) typically synthesized?

2,2-Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)acetonitrile can be synthesized via a multi-step process involving the condensation of indolines and nitrile precursors. The reaction is typically catalyzed by palladium or a similar transition metal, with high selectivity and good yield. The process requires careful control of reaction conditions, including temperature and solvent choice.

What industries use 2,2-Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)acetonitrile (CAS: 1442644-14-5)?

2,2-Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)acetonitrile is primarily used in pharmaceuticals and as a ligand in catalysis. Its role as a ligand makes it valuable in the development of new materials and in the synthesis of complex organic molecules. It is also explored in the field of sensors and semiconductors for its unique chemical properties.

What precautions should be taken when handling 2,2-Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)acetonitrile (CAS: 1442644-14-5)?

Proper handling of 2,2-Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)acetonitrile requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a well-ventilated area and handled in a fume hood to minimize exposure. In case of spill, it is important to clean up using appropriate absorbents and dispose of the waste according to local regulations. For detailed safety information, refer to the Material Safety Data Sheet (MSDS).

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