Reference of 1254473-66-9, With the rapid development and complex challenges of chemical substances, the synthesis of new drugs is usually one of the most effective ways to increase yield.1254473-66-9, name is 1-(3,5-Dichloropyridin-4-yl)ethanol, molecular formula is C7H7Cl2NO, molecular weight is 192.04, as common compound, the synthetic route is as follows.
S)- 1 -(3,5-Dichloropyridin-4-yl)ethanol Separate the mixture of stereoisomers obtained in the above reaction on a CHIRALPAK AD-H column eluting with 90% heptanes/ 10% ethanol. Peak 2 is the desired enantiomer. To establish the absolute configuration dissolve a sample of the product in CDCI3 (final concentration 100 mg/mL). Obtain the vibrational circular dichroism (VCD) and infra red (IR) spectra with a resolution of 4 cm- 1 using a ChiralIR FT VCD spectrometer (BioTools Inc ) with an IR cell equipped with BaF2 windows and a path length of 100 mm. Collect the VCD and IR for 6 hours with 150 muL of the sample. Present the data without smoothing or further data processing. Obtain vibrational frequencies and absorption and VCD intensities by optimizing the lowest energy conformer by Gaussian at the B3PW91/6-3 IG** level on a Linux cluster, and simulate the corresponding spectra using a Lorentzian bandwidth of 6 cm- 1 vibrational circular dichroism. The above analysis shows the product to be the S- isomer. Yield: 84.37 g (27%). MS (ES) m/z 192 [MH-I]+.
The chemical industry reduces the impact on the environment during synthesis 1254473-66-9, I believe this compound will play a more active role in future production and life.
Reference:
Patent; ELI LILLY AND COMPANY; CHEN, Daohong; LI, Hong-Yu; ZHAO, Genshi; WO2010/129509; (2010); A1;,
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