(S,S)-(+)-2,3-Bis(t-butylmethylphosphino)quinoxaline - ≥98% , CAS No.1107608-80-9

CAS: 1107608-80-9 Cat. No.: S281834 Molecular Weight: 334.38 EC Number: 693-869-6 PubChem CID: 46184490

GRADE & PURITY ≥98%

Synonyms

(S) QUINOXP | B5302 | (R,R)-(-)-2,3-Bis(tert-butylmethylphosphino)quinoxaline | (S,S)-QuinoxP* | F18654 | SCHEMBL2559367 | (R) QuinoxP | J-002473 | 2,3-Bis[(S)-(1,1-dimethylethyl)methylphosphino]quinoxaline | (S) QuinoxP(R)

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

(S) QUINOXP | B5302 | (R, R)-(-)-2, 3-Bis(tert-butylmethylphosphino)quinoxaline | (S, S)-QuinoxP* | F18654 | SCHEMBL2559367 | (R) QuinoxP | J-002473 | 2, 3-Bis[(S)-(1, 1-dimethylethyl)methylphosphino]quinoxaline | (S) QuinoxP(R)

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(C)(C)P(C)C1=NC2=CC=CC=C2N=C1P(C)C(C)(C)C
• IUPAC Name: (S)-tert-butyl-[3-[tert-butyl(methyl)phosphanyl]quinoxalin-2-yl]-methylphosphane
• InChIKey: DRZBLHZZDMCPGX-FGZHOGPDSA-N
• INCHI: 1S/C18H28N2P2/c1-17(2,3)21(7)15-16(22(8)18(4,5)6)20-14-12-10-9-11-13(14)19-15/h9-12H,1-8H3/t21-,22-/m1/s1
• Isomeric SMILES: CC(C)(C)[P@](C)C1=NC2=CC=CC=C2N=C1[P@@](C)C(C)(C)C
• PubChem CID: 46184490
• Molecular Weight: 334.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: Pyrazines Benzenoids Heteroaromatic compounds Organic phosphines and derivatives Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Benzenoid - Pyrazine - Heteroaromatic compound - Phosphine - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organophosphorus compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Air sensitive，Moisture sensitive
• Specific Rotation[α]: 51° (C=1,CHCl3)
• Melt Point(°C): 102 °C
• Molecular Weight: 334.400 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 334.173 Da
• Monoisotopic Mass: 334.173 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 336.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1