(11aR)-(+)-10,11,12,13-Tetrahydrodiindeno[7,1-de:1'',7''-fg][1,3,2]dioxaphosphocin-5-phenoxy - ≥98% , CAS No.656233-53-3

CAS: 656233-53-3 Cat. No.: T282105 Molecular Weight: 374.4 EC Number: 636-251-3 PubChem CID: 11660770

GRADE & PURITY ≥98%

Synonyms

1119754-16-3 | (R)-ShiP | Phenyl-[(R)-1,1'-spirobiindane-7,7'-diyl]-phosphite((R)-ShiP) | (11aR)-(+)-10,11,12,13-Tetrahydrodiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin-5-phenoxy | Diindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin, 10,11,12,13-tetrahydro-

Storage

Room temperature

Specifications

Synonyms

1119754-16-3 | (R)-ShiP | Phenyl-[(R)-1, 1'-spirobiindane-7, 7'-diyl]-phosphite((R)-ShiP) | (11aR)-(+)-10, 11, 12, 13-Tetrahydrodiindeno[7, 1-de:1', 7'-fg][1, 3, 2]dioxaphosphocin-5-phenoxy | Diindeno[7, 1-de:1', 7'-fg][1, 3, 2]dioxaphosphocin, 10, 11, 12, 13-tetrahydro-

Specifications & Purity

≥98%

Legal Information

Spiro Monophosphite and Monophosphoramidite Ligand Kit component

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CC23CCC4=C2C(=CC=C4)OP(OC5=CC=CC1=C35)OC6=CC=CC=C6
• IUPAC Name: 12-phenoxy-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine
• InChIKey: JVANYVSBBJFGMW-UHFFFAOYSA-N
• INCHI: 1S/C23H19O3P/c1-2-8-18(9-3-1)24-27-25-19-10-4-6-16-12-14-23(21(16)19)15-13-17-7-5-11-20(26-27)22(17)23/h1-11H,12-15H2
• Isomeric SMILES: C1CC23CCC4=C2C(=CC=C4)OP(OC5=CC=CC1=C35)OC6=CC=CC=C6
• PubChem CID: 11660770
• Molecular Weight: 374.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Indanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanes
• Alternative Parents: Phenoxy compounds Organic phosphites Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indane - Phenoxy compound - Monocyclic benzene moiety - Organic phosphite - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene 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: moisture sensitive
• Boil Point(°C): 454.8±45.0 °C
• Molecular Weight: 374.400 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 374.107 Da
• Monoisotopic Mass: 374.107 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 510.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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