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| CAS No.: | 35193-64-7 |
|---|---|
| Name: | (S)-(+)-1,1'-Binaphthyl-2,2'-diyl hydrogenphosphate |
| Article Data: | 27 |
| 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, (S)-;(+)-1,1'-Binaphthyl-2,2'-diyl hydrogen phosphate;(+)-4-Hydroxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin 4-oxide;(1S)-1,1'-Binaphthyl-2,2'-diyl hydrogen phosphate;(S)-(+)-BNDHP;(S)-1,1'-Bi-2-naphthol-2,2'-diyl hydrogen phosphate;(S)-1,1'-Binaphthalene-2,2'-diyl hydrogen phosphate;(S)-1,1'-Binaphthyl-2,2'-diyl hydrogen phosphate;(S)-2,2'-(1,1'-Binaphthyl)hydrogen phosphate;(S)-2,2'-Dihydroxy-1,1'-binaphthalene cyclic phosphate; |
| Density: | 1.49 g/cm3 |
| Melting Point: | ≥300 °C |
| Boiling Point: | 619.5 °C at 760 mmHg |
| Flash Point: | 328.5 °C |
| Appearance: | white to light yellow crystal powde |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 26-36-36/37/39-22 |
| PSA: | 65.57000 |
| LogP: | 3.34920 |
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Specification
The CAS register number of (S)-(+)-1,1'-Binaphthyl-2,2'-diyl hydrogenphosphate is 35193-64-7. It also can be called as Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin,4-hydroxy-, 4-oxide, (11bS)- and the systematic name about this chemical is dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-ol 4-oxide. 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 and so on. This chemical is used as chiral quenching agent.
Physical properties about (S)-(+)-1,1'-Binaphthyl-2,2'-diyl hydrogenphosphate are: (1)ACD/LogP: 3.99; (2)ACD/LogD (pH 5.5): 0.55; (3)ACD/LogD (pH 7.4): 0.49; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.27; (7)ACD/KOC (pH 7.4): 1.12; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)Polar Surface Area: 54.57Å2; (11)Index of Refraction: 1.763; (12)Molar Refractivity: 96.27 cm3; (13)Molar Volume: 233.2 cm3; (14)Polarizability: 38.16x10-24cm3; (15)Surface Tension: 73.6 dyne/cm; (16)Enthalpy of Vaporization: 96.54 kJ/mol; (17)Boiling Point: 619.5 °C at 760 mmHg; (18)Vapour Pressure: 3.3E-16 mmHg at 25°C.
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 (S)-(+)-1,1'-Binaphthyl-2,2'-diyl hydrogenphosphate: it can be used to produce (-)-2'-hydroxy-1,1'-binaphthyl-2-yl phosphate at heating. This reaction is a kind of Hydrolysis. It will need reagent 1N aq. NaOH with reaction time of 3 hours. The yield is about 43%.
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=P1(Oc4c(c2c(O1)ccc3c2cccc3)c5c(cc4)cccc5)O
(2)InChI: InChI=1/C20H13O4P/c21-25(22)23-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)24-25/h1-12H,(H,21,22)
(3)InChIKey: JEHUZVBIUCAMRZ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C20H13O4P/c21-25(22)23-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)24-25/h1-12H,(H,21,22)
(5)Std. InChIKey: JEHUZVBIUCAMRZ-UHFFFAOYSA-N