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1-[(4aR,10bR)-2,3,4a,5,6,10b-Hexahydro-9-[[tris(1-methylethyl)silyl]oxy]-4H-naphth[1,2-b]-1,4-oxazin-4-yl]ethanone
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Name

1-[(4aR,10bR)-2,3,4a,5,6,10b-Hexahydro-9-[[tris(1-methylethyl)silyl]oxy]-4H-naphth[1,2-b]-1,4-oxazin-4-yl]ethanone

 EINECS N/A
CAS No. 1034706-81-4 Density 1.023 g/cm3
PSA 38.77000 LogP 5.41340
Solubility N/A Melting Point N/A
Formula C23H37NO3Si Boiling Point 486.718 °C at 760 mmHg
Molecular Weight 403.637 Flash Point 248.159 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1034706-81-4 ((+)-N-Acetyl 3,4,4a,5,6,10b-Hexahydro-2H-naphtho[1,2-β][1,4]oxazine-9-ol Triisopropylsilyl Ether) Hazard Symbols N/A
Synonyms

(+)-N-Acetyl 3,4,4a,5,6,10b-Hexahydro-2H-naphtho[1,2-β][1,4]oxazine-9-ol Triisopropylsilyl Ether;

 

1-[(4aR,10bR)-2,3,4a,5,6,10b-Hexahydro-9-[[tris(1-methylethyl)silyl]oxy]-4H-naphth[1,2-b]-1,4-oxazin-4-yl]ethanone Specification

The 1-[(4aR,10bR)-2,3,4a,5,6,10b-Hexahydro-9-[[tris(1-methylethyl)silyl]oxy]-4H-naphth[1,2-b]-1,4-oxazin-4-yl]ethanone with its cas register number is 1034706-81-4. It also can be called as (+)-N-Acetyl 3,4,4a,5,6,10b-Hexahydro-2H-naphtho[1,2-β][1,4]oxazine-9-ol Triisopropylsilyl Ether and the Systematic name about this chemical is 1-[(4aR,10bR)-9-triisopropylsilyloxy-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-4-yl]ethanone. It belongs to the following product categories, such as Chiral Reagents, Heterocycles, Intermediates & Fine Chemicals, Pharmaceuticals and so on.

Physical properties about 1-[(4aR,10bR)-2,3,4a,5,6,10b-Hexahydro-9-[[tris(1-methylethyl)silyl]oxy]-4H-naphth[1,2-b]-1,4-oxazin-4-yl]ethanone are: (1)ACD/LogP: 2.29; (2)ACD/LogD (pH 5.5): 2.285; (3)ACD/LogD (pH 7.4): 2.285; (4)ACD/BCF (pH 5.5): 32.084; (5)ACD/BCF (pH 7.4): 32.084; (6)ACD/KOC (pH 5.5): 416.695; (7)ACD/KOC (pH 7.4): 416.695; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 38.77Å2; (11)Index of Refraction: 1.505; (12)Molar Refractivity: 117.026 cm3; (13)Molar Volume: 394.515 cm3; (14)Polarizability: 46.393x10-24cm3; (15)Surface Tension: 32.821 dyne/cm; (16)Enthalpy of Vaporization: 75.248 kJ/mol

The 1-[(4aR,10bR)-2,3,4a,5,6,10b-Hexahydro-9-[[tris(1-methylethyl)silyl]oxy]-4H-naphth[1,2-b]-1,4-oxazin-4-yl]ethanone can be used as PHNO precursor. It also can be used for the preparation of radiolabeled amines, which are useful in Positron Emission Tomog. (PET) and Single Photon Emission Computed Tomog. (SPECT), and hence, can be utilized for imaging neuro-receptors with radiolabeled agonists.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)[Si](C(C)C)(C(C)C)Oc1ccc2c(c1)[C@@H]3[C@@H](CC2)N(CCO3)C(=O)C
(2)InChI: InChI=1/C23H37NO3Si/c1-15(2)28(16(3)4,17(5)6)27-20-10-8-19-9-11-22-23(21(19)14-20)26-13-12-24(22)18(7)25/h8,10,14-17,22-23H,9,11-13H2,1-7H3/t22-,23-/m1/s1
(3)InChIKey: XZZQCTZCKHVBLF-DHIUTWEWBZ
(4)Std. InChI: InChI=1S/C23H37NO3Si/c1-15(2)28(16(3)4,17(5)6)27-20-10-8-19-9-11-22-23(21(19)14-20)26-13-12-24(22)18(7)25/h8,10,14-17,22-23H,9,11-13H2,1-7H3/t22-,23-/m1/s1
(5)Std. InChIKey: XZZQCTZCKHVBLF-DHIUTWEWSA-N

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