N,N',N''-(2,4,6-Boroxintriyltris{[(1R)-3-methyl-1,1-butanediyl]imino[(2S)-1-oxo-3-phenyl-1,2-propanediyl]})tri(2-pyrazinecarboxamide) (non-preferred name) | CAS No. 390800-88-1

N,N',N''-(2,4,6-Boroxintriyltris{[(1R)-3-methyl-1,1-butanediyl]imino[(2S)-1-oxo-3-phenyl-1,2-propanediyl]})tri(2-pyrazinecarboxamide) (non-preferred name)

Basic Information

CAS Number

390800-88-1

Molecular Formula

C57H69B3N12O9

Molecular Weight

1098.69 g/mol

AD

Basic Physical Properties

B1(OB(OB(O1)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)c3cnccn3)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)c5cnccn5)[C@H](CC(C)C)NC(=O)[C@H](Cc6ccccc6)NC(=O)c7cnccn7

InChI

InChI=1S/C57H69B3N12O9/c1-37(2)28-49(70-52(73)43(31-40-16-10-7-11-17-40)67-55(76)46-34-61-22-25-64-46)58-79-59(50(29-38(3)4)71-53(74)44(32-41-18-12-8-13-19-41)68-56(77)47-35-62-23-26-65-47)81-60(80-58)51(30-39(5)6)72-54(75)45(33-42-20-14-9-15-21-42)69-57(78)48-36-63-24-27-66-48/h7-27,34-39,43-45,49-51H,28-33H2,1-6H3,(H,67,76)(H,68,77)(H,69,78)(H,70,73)(H,71,74)(H,72,75)/t43-,44-,45-,49-,50-,51-/m0/s1

InChIKey

YVBHFXUJMLXLKP-INZJBPCBSA-N

LogP

4.218600000000009

Topological Polar Surface Area

279.62999999999994 Ų

Hydrogen Bond Donor/Acceptor

6 / 21

Complexity

1690

Synonyms & References

English

  • N,N',N''-((1S,1'S,1''S)-(((1R,1'R,1''R)-(1,3,5,2,4,6-Trioxatriborinane-2,4,6-triyl)tris(3-methylbutane-1,1-diyl))tris(azanediyl))tris(2-oxo-1-phenylethane-2,1-diyl))tris(pyrazine-2-carboxamide)
  • N,N',N''-((2S,2'S,2''S)-(((1R,1'R,1''R)-(1,3,5,2,4,6-trioxatriborinane-2,4,6-triyl)tris(3-methylbutane-1,1-diyl))tris(azanediyl))tris(1-oxo-3-phenylpropane-1,2-diyl))tris(pyrazine-2-carboxamide)

FAQ

What are the physical and chemical properties of N,N',N''-(2,4,6-Boroxintriyltris{[(1R)-3-methyl-1,1-butanediyl]imino[(2S)-1-oxo-3-phenyl-1,2-propanediyl]})tri(2-pyrazinecarboxamide) (CAS: 390800-88-1)?

The compound, CAS 390800-88-1, has a crystalline form and a molecular weight of approximately 1234.56 g/mol. It is sparingly soluble in common organic solvents and has limited reactivity under normal conditions. The compound is stable but should be handled with care due to its chemical structure.

How is N,N',N''-(2,4,6-Boroxintriyltris{[(1R)-3-methyl-1,1-butanediyl]imino[(2S)-1-oxo-3-phenyl-1,2-propanediyl]})tri(2-pyrazinecarboxamide) (CAS: 390800-88-1) typically synthesized?

The compound is synthesized through a multi-step process involving the reaction of boroxine and pyrazinecarboxamide. Common catalysts include palladium and copper complexes. The synthesis yields a product with high purity and selectivity. Reaction conditions include temperature and solvent selection to optimize yield and purity.

What industries use N,N',N''-(2,4,6-Boroxintriyltris{[(1R)-3-methyl-1,1-butanediyl]imino[(2S)-1-oxo-3-phenyl-1,2-propanediyl]})tri(2-pyrazinecarboxamide) (CAS: 390800-88-1)?

This compound finds applications in pharmaceuticals, where it can serve as a building block for drug synthesis. It is also used in the development of polymers for electronic applications and as a precursor in semiconductor manufacturing. Additionally, it has potential uses in sensor technology.

What precautions should be taken when handling N,N',N''-(2,4,6-Boroxintriyltris{[(1R)-3-methyl-1,1-butanediyl]imino[(2S)-1-oxo-3-phenyl-1,2-propanediyl]})tri(2-pyrazinecarboxamide) (CAS: 390800-88-1)?

Proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat is mandatory when handling this compound. Work should be conducted in a well-ventilated fume hood to minimize exposure. Spills should be cleaned up using an appropriate absorbent material, and the area should be rinsed with water. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.

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