(S)-2-(2-(Diphenylphosphino)phenyl)-4-isopropyl-4,5-dihydroo - ≥98% , CAS No.148461-14-7

CAS: 148461-14-7 Cat. No.: S115635 Molecular Weight: 373.43 Beilstein Registry Number: 5879300 PubChem CID: 9807779

GRADE & PURITY ≥98%

Synonyms

C24H24NOP | SCHEMBL3954455 | (4S)-2-[2-(diphenylphosphanyl)phenyl]-4-(propan-2-yl)-4,5-dihydro-1,3-oxazole | DTXSID60403391 | EX-A7846W | AKOS015910446 | (4S)-(-)-4,5-DIHYDRO-2-[2'-(DIPHENYLPHOSPHINO)PHENYL]-4-ISOPROPYLOXAZOLE | A919483 | AS-73531 | (S)-(

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

C24H24NOP | SCHEMBL3954455 | (4S)-2-[2-(diphenylphosphanyl)phenyl]-4-(propan-2-yl)-4, 5-dihydro-1, 3-oxazole | DTXSID60403391 | EX-A7846W | AKOS015910446 | (4S)-(-)-4, 5-DIHYDRO-2-[2'-(DIPHENYLPHOSPHINO)PHENYL]-4-ISOPROPYLOXAZOLE | A919483 | AS-73531 | (S)-(

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)C1COC(=N1)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4
• IUPAC Name: diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane
• InChIKey: OUQSAXROROGQEE-JOCHJYFZSA-N
• INCHI: 1S/C24H24NOP/c1-18(2)22-17-26-24(25-22)21-15-9-10-16-23(21)27(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,18,22H,17H2,1-2H3/t22-/m1/s1
• Isomeric SMILES: CC(C)[C@H]1COC(=N1)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4
• WGK Germany: 3
• PubChem CID: 9807779
• Molecular Weight: 373.43
• Beilstein: 5879300

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylphosphines and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylphosphines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylphosphines and derivatives
• Alternative Parents: Oxazolines Organic phosphines and derivatives Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Triphenylphosphine - Phenylphosphine - Oxazoline - Phosphine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Oxacycle - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organophosphorus compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl group.
• 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
• Melt Point(°C): 85-90°C
• Molecular Weight: 373.400 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 373.16 Da
• Monoisotopic Mass: 373.16 Da
• Topological Polar Surface Area: 21.600 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 475.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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