160191-65-1

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160191-65-1 Structure

Identification	Back Directory
[Name] (4S 4'S)-(-)-2 2'-(3-PENTYLIDENE)BIS(4-&
[CAS] 160191-65-1
[Synonyms] (4S 4'S)-(-)-2 2'-(3-PENTYLIDENE)BIS(4-& (4S,4'S)-2,2'-(pentane-3,3-diyl)bis(4-isopropyl-4,5-dihydrooxazole) (4S,4'S)- 2,2'-(1-ethylpropylidene)bis[4,5-dihydro-4-(1-methylethyl)-Oxazole Oxazole, 2,2'-(1-ethylpropylidene)bis[4,5-dihydro-4-(1-methylethyl)-, (4S,4'S)- [S-(R,R)]-(-)-2,2μ-(1-Ethylpropylidene)bis(4,5-dihydro-4-isopropyloxazole), (4S,4μS)-(-)-2,2μ-(1-Ethylpropylidene)bis(4,5-dihydro-4-isopropyloxazole)
[Molecular Formula] C17H30N2O2
[MDL Number] MFCD03427142
[MOL File] 160191-65-1.mol
[Molecular Weight] 294.43

Chemical Properties	Back Directory
[Boiling point ] 120 °C/0.001 mmHg (lit.)
[density ] 1.002 g/mL at 25 °C (lit.)
[refractive index ] n20/D 1.4710(lit.)
[Fp ] 180 °F
[storage temp. ] Inert atmosphere,2-8°C
[pka] 5.51±0.70(Predicted)
[Appearance] Colorless to light yellow Liquid
[Optical Rotation] -112.905°(C=1g/100ml CHCL3)
[InChI] 1S/C17H30N2O2/c1-7-17(8-2,15-18-13(9-20-15)11(3)4)16-19-14(10-21-16)12(5)6/h11-14H,7-10H2,1-6H3/t13-,14-/m1/s1
[InChIKey] PIJFQTUSLZLNOP-ZIAGYGMSSA-N
[SMILES] CCC(CC)(C1=N[C@H](CO1)C(C)C)C2=N[C@H](CO2)C(C)C

Safety Data	Back Directory
[Hazard Codes ] Xi
[Risk Statements ] 36/37/38
[Safety Statements ] 26-36
[RIDADR ] NA 1993 / PGIII
[WGK Germany ] 3
[HS Code ] 29349990
[Storage Class] 10 - Combustible liquids
[Hazard Classifications] Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

[Uses]

(4S,4′S)-(?)-2,2′-(3-Pentylidene)bis(4-isopropyloxazoline) is a bisoxazoline that can be used as a ligand:

To prepare [¹¹C]carboxylic acids, [¹¹C]esters and [¹¹C]amides using boronic acid esters and ¹¹CO₂.
In one of the key synthetic steps for the total synthesis of tatanan A and 3-epi-tatanan A.
To prepare copper(I) complex and used in a mass spectrometric method to study its chiral selectivity with different substrates.

Spectrum Detail	Back Directory
[Spectrum Detail] (4S 4'S)-(-)-2 2'-(3-PENTYLIDENE)BIS(4-&(160191-65-1)¹HNMR

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