for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=CC(=CC(=C1)P(C2=CC=CC3=C2C4(CCC5=C4C(=CC=C5)C6=NC(CO6)CC7=CC=CC=C7)CC3)C8=CC(=CC(=C8)C)C)C |
|---|---|
| IUPAC Name | [(3S)-4-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4'-yl]-bis(3,5-dimethylphenyl)phosphane |
| InChIKey | HIVLVUWPNHHMAS-NKTCMXKJSA-N |
| INCHI | 1S/C43H42NOP/c1-28-20-29(2)23-36(22-28)46(37-24-30(3)21-31(4)25-37)39-15-9-13-34-17-19-43(41(34)39)18-16-33-12-8-14-38(40(33)43)42-44-35(27-45-42)26-32-10-6-5-7-11-32/h5-15,20-25,35H,16-19,26-27H2,1-4H3/t35-,43-/m0/s1 |
| Isomeric SMILES | CC1=CC(=CC(=C1)P(C2=CC=CC3=C2[C@@]4(CCC5=C4C(=CC=C5)C6=N[C@H](CO6)CC7=CC=CC=C7)CC3)C8=CC(=CC(=C8)C)C)C |
| PubChem CID | 11977440 |
| Molecular Weight | 619.8 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| 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 | Indanes m-Xylenes 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 - M-xylene - Xylene - Phenylphosphine - Oxazoline - Phosphine - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - 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 |
| Boil Point(°C) | 755.2±60.0 °C |
|---|---|
| Molecular Weight | 619.800 g/mol |
| XLogP3 | 10.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 619.3 Da |
| Monoisotopic Mass | 619.3 Da |
| Topological Polar Surface Area | 21.600 Ų |
| Heavy Atom Count | 46 |
| Formal Charge | 0 |
| Complexity | 1020.000 |
| 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 |
![Oxazole,2-[(1S)-7'-[bis(3,5-dimethylphenyl)phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-YL]-4,5-dihydro-4-(phenylmethyl)-,(4S)- , CAS No.913829-90-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)