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Chemistry & Biochemicals
Ligand
(S)-2-(7'-(Bis(3，5-di-tert-butylphenyl)phosphino)-2，2'，3，3'-tetrahydro-1，1'-spirobi[inden]-7-yl)-4，5-dihydrooxazole - ≥98%, high purity , CAS No.1040274-18-7
(S)-2-(7'-(Bis(3，5-di-tert-butylphenyl)phosphino)-2，2'，3，3'-tetrahydro-1，1'-spirobi[inden]-7-yl)-4，5-dihydrooxazole - ≥98%, high purity , CAS No.1040274-18-7
Basic Description
Specifications & Purity
≥98%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
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
Phenylpropanes Indanes 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 heteropolycyclic compounds
Substituents
Triphenylphosphine - Indane - Phenylpropane - Phenylphosphine - Oxazoline - Phosphine - Oxacycle - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Hydrocarbon derivative - Organopnictogen compound - Organophosphorus compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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.
Names and Identifiers
IUPAC Name
bis(3,5-ditert-butylphenyl)-[(3S)-4-(4,5-dihydro-1,3-oxazol-2-yl)-3,3'-spirobi[1,2-dihydroindene]-4'-yl]phosphane
INCHI
InChI=1S/C48H60NOP/c1-44(2,3)33-25-34(45(4,5)6)28-37(27-33)51(38-29-35(46(7,8)9)26-36(30-38)47(10,11)12)40-18-14-16-32-20-22-48(42(32)40)21-19-31-15-13-17-39(41(31)48)43-49-23-24-50-43/h13-18,25-30H,19-24H2,1-12H3/t48-/m0/s1
InChIKey
FMGYAZLRTVWJGN-DYVQZXGMSA-N
Smiles
CC(C)(C)C1=CC(=CC(=C1)P(C2=CC=CC3=C2C4(CCC5=C4C(=CC=C5)C6=NCCO6)CC3)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C(C)(C)C
Isomeric SMILES
CC(C)(C)C1=CC(=CC(=C1)P(C2=CC=CC3=C2[C@@]4(CCC5=C4C(=CC=C5)C6=NCCO6)CC3)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C(C)(C)C
PubChem CID
52921691
Molecular Weight
698
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Boil Point(°C)
720.3±60.0 °C
Melt Point(°C)
229-231°C
Molecular Weight
698.000 g/mol
XLogP3
13.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
8
Exact Mass
697.441 Da
Monoisotopic Mass
697.441 Da
Topological Polar Surface Area
21.600 Ų
Heavy Atom Count
51
Formal Charge
0
Complexity
1150.000
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
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