(S)- 1 -(3,5-Dichloropyridin-4-yl)ethanol
- CAS No.
- 1370347-50-4
- Chemical Name:
- (S)- 1 -(3,5-Dichloropyridin-4-yl)ethanol
- Synonyms
- (S)-1-(3,5-dichloropyridin-4-yl)ethan-1-ol;EOS-62118;(1S)-1-(3,5-Dichloro-4-pyridinyl)ethanol;(1S)-1-(3,5-dichloropyridin-4-yl)ethanol;(S)- 1 -(3,5-Dichloropyridin-4-yl)ethanol;(1S)-1-(3,5-dichloropyridin-4-yl)ethan-1-ol;(αS)-3,5-Dichloro-α-methyl-4-pyridinemethanol;4-Pyridinemethanol, 3,5-dichloro-α-methyl-, (αS)-;(alphaS)-3,5-Dichloro-alpha-methyl-4-pyridinemethanol
- CBNumber:
- CB02629250
- Molecular Formula:
- C7H7Cl2NO
- Molecular Weight:
- 192.04
- MDL Number:
- MOL File:
- 1370347-50-4.mol
- MSDS File:
- SDS
| Boiling point | 276.1±35.0 °C(Predicted) |
|---|---|
| Density | 1.395±0.06 g/cm3(Predicted) |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| pka | 12.16±0.20(Predicted) |
| Appearance | White to light yellow Solid |
| InChI | InChI=1/C7H7Cl2NO/c1-4(11)7-5(8)2-10-3-6(7)9/h2-4,11H,1H3/t4-/s3 |
| InChIKey | KCPDCYCCMCEYQN-UFLUHPNLNA-N |
| SMILES | [C@@H](O)(C1C(Cl)=CN=CC=1Cl)C |&1:0,r| |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
(S)- 1 -(3,5-Dichloropyridin-4-yl)ethanol price More Price(28)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Activate Scientific | AS45342 | (S)-1-(3,5-Dichloropyridin-4-yl)ethanol 97%EE | 1370347-50-4 | 1g | $104 | 2026-06-04 | Buy |
| Activate Scientific | AS45342 | (S)-1-(3,5-Dichloropyridin-4-yl)ethanol 97%EE | 1370347-50-4 | 5g | $468 | 2026-06-04 | Buy |
| Matrix Scientific | 303394 | (S)-1-(3,5-Dichloropyridin-4-yl)ethanol | 1370347-50-4 | 1.00g | $93 | 2026-05-19 | Buy |
| Matrix Scientific | 303394 | (S)-1-(3,5-Dichloropyridin-4-yl)ethanol | 1370347-50-4 | 5.00g | $404 | 2026-05-19 | Buy |
| Matrix Scientific | 303394 | (S)-1-(3,5-Dichloropyridin-4-yl)ethanol | 1370347-50-4 | 25.00g | $1360 | 2026-05-19 | Buy |
(S)- 1 -(3,5-Dichloropyridin-4-yl)ethanol Chemical Properties, Uses, Production
Uses
(S)-1-(3,5-Dichloropyridin-4-yl)ethanol is used to prepare (R)-(E)-2-(4-(2-(5-(1-(3,5-dichloropyridin-4-yl)ethoxy)-1H-indazol-3-yl)vinyl)-1H-pyrazol-1-yl)ethanol useful in the treatment of cancer.
Synthesis
1254473-66-9
1370347-50-4
General procedure for the synthesis of (S)-1-(3,5-dichloropyridin-4-yl)ethanol from 1-(3,5-dichloropyridin-4-yl)ethanol: Firstly, chiral separation of the mixture of stereoisomers was carried out by a CHIRALPAK AD-H column with 90% heptane/10% ethanol as eluent. The second elution peak, the target enantiomer (S)-1-(3,5-dichloropyridin-4-yl)ethanol, was collected. To determine the absolute configuration of the product, the sample was dissolved in CDCl3 (final concentration 100 mg/mL) and vibrational circular dichroism (VCD) and infrared (IR) spectra were acquired using a ChiralIR FT VCD spectrometer equipped with a BaF2 window and a 100-mm path-length IR unit (BioTools Inc.), with a resolution of 4 cm-1 . using a 150 μL of sample and an acquisition time of 6 h. The data were collected using a VCD spectrometer (BioTools Inc.). Data were presented directly without smoothing or other post-processing. The lowest energy conformation was optimized at the B3PW91/6-31G** level of theory by Gaussian software on a Linux cluster, vibrational frequencies, absorption intensities and VCD intensities were calculated, and vibrational circular dichroism spectra were simulated with a 6 cm-1 Lorentz bandwidth. The analytical results confirm that the product is in S-configuration. Yield: 84.37 g (27% yield). Mass spectrum (electrospray ionization) m/z 192 [M-H]+.
References
[1] Patent: WO2010/129509, 2010, A1. Location in patent: Page/Page column 4
[2] Patent: US2012/83511, 2012, A1. Location in patent: Page/Page column 2
[3] Journal of Medicinal Chemistry, 2016, vol. 59, # 14, p. 6690 - 6708
[4] Patent: CN103819396, 2016, B
(S)- 1 -(3,5-Dichloropyridin-4-yl)ethanol Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Shanghai Lijiu Biotech Co., Ltd. | 17821611619 | 17821611619@163.com | China | 118 | 58 |
| Shanghai Boyle Chemical Co., Ltd. | sales@boylechem.com | China | 2915 | 55 | |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Nanjing Chemlin Chemical Co., Ltd | 025-83697070 13770331960 | info@chemlin.com.cn | China | 16305 | 64 |
| Shanghai Holy Biohemdeviser Co., Ltd | 021-61551100 | China | 443 | 57 | |
| Shanghai Topbiochem Technology Co., Ltd | 021-58170097 | info@topbiochem.com | China | 9509 | 58 |
| Shanghai Jian Chao Chemical Technology Co., Ltd. | 150-2103-5486 18017383231 | 983544897@qq.com | China | 9335 | 55 |
| Shanghai potentpharm CO.,Ltd | 13524892556 | sales-cn@potentpharm.com | China | 1011 | 55 |
| Haoyuan Chemexpress Co., Ltd. | 021-58950125 | info@chemexpress.com | China | 7545 | 61 |
| Syncozymes (Shanghai) Co.,Ltd. | 021-68187180 13681683526 | lchen@syncozymes.com | China | 412 | 55 |
View Latest Price from (S)- 1 -(3,5-Dichloropyridin-4-yl)ethanol manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2020-01-09 | (S)- 1 -(3,5-Dichloropyridin-4-yl)ethanol
1370347-50-4
|
$1.00 | 1g | 99% | 200kg | Career Henan Chemical Co |
-
- (S)- 1 -(3,5-Dichloropyridin-4-yl)ethanol
1370347-50-4
- $1.00
- 99%
- Career Henan Chemical Co
