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| CAS No.: | 39648-67-4 |
|---|---|
| Name: | (R)-(-)-1,1'-Binaphthyl-2,2'-diyl hydrogenphosphate |
| Molecular Structure: | |
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|
|
| Formula: | C20H13O4P |
| Molecular Weight: | 348.295 |
| Synonyms: | Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin,4-hydroxy-, 4-oxide, (R)-;(-)-1,1'-Binaphthyl-2,2'-diyl hydrogen phosphate;(-)-1,1'-Dinaphthyl-2,2'-diyl hydrogen phosphate;(-)-4-Hydroxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin 4-oxide;(R)-(-)-BNDHP;(R)-(-)-Binaphthyl-2,2'-diyl hydrogen phosphate;(R)-1,1'-Bi-2-naphthol-2,2'-diyl hydrogen phosphate;(R)-1,1'-Binaphthyl-2,2'-diyl hydrogen phosphate;(R)-BNPPA; |
| EINECS: | -0 |
| Density: | 1.49 g/cm3 |
| Melting Point: | ≥300 °C |
| Boiling Point: | 619.5 °C at 760 mmHg |
| Flash Point: | 328.5 °C |
| Appearance: | off-white powder |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 26-36-36/37/39-22 |
| PSA: | 65.57000 |
| LogP: | 5.53160 |
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Specification
The CAS register number of (R)-(-)-1,1'-Binaphthyl-2,2'-diyl hydrogenphosphate is 39648-67-4. It also can be called as Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin,4-hydroxy-, 4-oxide, (11bR)- and the systematic name about this chemical is 2'-[(hydroxyphosphinato)oxy]-1,1'-binaphthalen-2-yl phosphate. The molecular formula about this chemical is C20H13O4P and the molecular weight is 348.29. It belongs to the following product categories, such as Chiral Compounds; chiral; API intermediates; Analytical Chemistry; e.e. / Absolute Configuration Determination (NMR); Enantiomer Excess & Absolute Configuration Determination; for Resolution of Bases; Optical Resolution; Synthetic Organic Chemistry; Chiral Compound; Chiral Reagents; Intermediates & Fine Chemicals; Pharmaceuticals; Chiral Phosphoric AcidsAsymmetric Synthesis; Asymmetric Synthesis; Chiral Catalysts, Ligands, and Reagents; Chiral Resolution Reagents; Chiral Resolving Reagents and so on. This chemical is used for the R enantiomer of binaphthol derivative as chiral quenching agent.
Physical properties about (R)-(-)-1,1'-Binaphthyl-2,2'-diyl hydrogenphosphate are: (1)ACD/LogP: 3.16; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 8; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 161.63Å2; (10)Flash Point: 397.664 °C; (11)Enthalpy of Vaporization: 112.409 kJ/mol; (12)Boiling Point: 733.925 °C at 760 mmHg.
Preparation: this chemical can be prepared by (4S,5S)-2,2-Dimethyl-4-hydroxymethyl-5-(4-nitrophenyl)oxazolidin-(S)-1,1'-bi-2,2'-naphthylhydrogenphosphat. This reaction will need reagent conc. HCl and solvent H2O. The reaction time is 10 min with reaction temperature of 95 ℃. The yield is about 94%.
Uses of (R)-(-)-1,1'-Binaphthyl-2,2'-diyl hydrogenphosphate: it can be used to produce (-)-1,1'-Bi-2-naphthol at heating. This reaction is a kind of Reduction. It will need reagent LiAlH4 and solvent diethyl ether with reaction time of 1 hours. The yield is about 93%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin, it is harmful by inhalation, in contact with skin and if swallowed. When you are using it, wear suitable protective clothing, gloves and eye/face protection, you need also do not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-]P([O-])(=O)Oc4ccc1ccccc1c4c2c3ccccc3ccc2OP([O-])(O)=O
(2)InChI: InChI=1/C20H16O8P2/c21-29(22,23)27-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)28-30(24,25)26/h1-12H,(H2,21,22,23)(H2,24,25,26)/p-3
(3)InChIKey: WZRKOQXBCOYKQB-DFZHHIFOAW
(4)Std. InChI: InChI=1S/C20H16O8P2/c21-29(22,23)27-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)28-30(24,25)26/h1-12H,(H2,21,22,23)(H2,24,25,26)/p-3
(5)Std. InChIKey: WZRKOQXBCOYKQB-UHFFFAOYSA-K