(S)-1-(5-fluoro-2-iodophenyl)ethan-1-ol
(S)-1-(5-fluoro-2-iodophenyl)ethan-1-ol 物理性質
- 沸点 :
- 275.7±30.0 °C(Predicted)
- 比重(密度) :
- 1.812±0.06 g/cm3(Predicted)
- 酸解離定数(Pka):
- 13.80±0.20(Predicted)
安全性情報
- リスクと安全性に関する声明
- 危険有害性情報のコード(GHS)
| 絵表示（GHS） |
|
| 注意喚起語 |
警告 |
| 危険有害性情報 |
| コード |
危険有害性情報 |
危険有害性クラス |
区分 |
注意喚起語 |
シンボル |
P コード |
| H302 |
飲み込むと有害 |
急性毒性、経口 |
4 |
警告 |
|
P264, P270, P301+P312, P330, P501 |
| H315 |
皮膚刺激 |
皮膚腐食性/刺激性 |
2 |
警告 |
|
P264, P280, P302+P352, P321,P332+P313, P362 |
| H319 |
強い眼刺激 |
眼に対する重篤な損傷性/眼刺激 性 |
2A |
警告 |
|
P264, P280, P305+P351+P338,P337+P313P |
| H335 |
呼吸器への刺激のおそれ |
特定標的臓器毒性、単回暴露； 気道刺激性 |
3 |
警告 |
|
|
|
| 注意書き |
| P261 |
粉じん/煙/ガス/ミスト/蒸気/スプレーの吸入を避ける こと。 |
| P280 |
保護手袋/保護衣/保護眼鏡/保護面を着用するこ と。 |
| P301+P312 |
飲み込んだ場合：気分が悪い時は医師に連絡する こと。 |
| P302+P352 |
皮膚に付着した場合：多量の水と石鹸で洗うこと。 |
| P305+P351+P338 |
眼に入った場合：水で数分間注意深く洗うこと。次にコ ンタクトレンズを着用していて容易に外せる場合は外す こと。その後も洗浄を続けること。 |
|
(S)-1-(5-fluoro-2-iodophenyl)ethan-1-ol 価格
| メーカー |
製品番号 |
製品説明 |
CAS番号 |
包装 |
価格 |
更新時間 |
購入 |
(S)-1-(5-fluoro-2-iodophenyl)ethan-1-ol 化学特性,用途語,生産方法
使用
(S)-1-(5-fluoro-2-iodophenyl)ethan-1-ol is an intermediate of Lorlatinib, which is an orally administered inhibitor of ALK and ROS1, two enzymes that play a role in the development of cancer.
合成
(S)-1-(5-fluoro-2-iodophenyl)ethan-1-ol is synthesised using 5'-Fluoro-2'-iodoacetophenone as a raw material by chemical reaction. The specific synthesis steps are as follows:
A solution of (-)-DIPCI (57.1 g, 178 mmol) in THF (100 ml) was cooled to -20 to -30 C. A solution of compound 1 (31 .3 g, 1 19 mmol) in THF (100 ml) was then added dropwise, via addition funnel (30 min addition). The reaction was left to warm up to RT. After 2 h, the reaction was cooled to -30 C and another portion of (-)-DIPCI (38.0 g, 1 19 mmol) was added. After 30 min, the reaction was allowed to warm to RT and after 1 h, the solvents were removed in vacuo and the residue re-dissolved in MTBE (200 ml). A solution of diethanolamine (31 g, 296 mmol) in ethanol/THF (15 ml/30 ml) was added via addition funnel, to the reaction mixture under an ice bath. The formation of a white precipitate was observed. The suspension was heated at reflux for 2 hours then cooled to room temperature, filtered and the mother liquids concentrated in vacuo. The residue was suspended in heptane/EtOAc (7:3, 200 ml) and again filtered. This procedure was repeated until no more solids could be observed after the liquids were concentrated. The final yellow oil was purified by column chromatography (eluent: cyclohexane/EtOAc- 99:1 to 96:4). The resulting colorless oil was further purified by recrystallisation from heptanes, to give alcohol compound 2 (25 g, 80% yield, 99% purity and 96% ee) as white crystals. 1H NMR (400 MHz, CDCI3) delta 7.73 (dd, 1 H), 7.32 (dd, 1 H), 6.74 (ddd, 1 H), 4.99 - 5.04 (m, 1 H), 2.01 (d, 1 H), 1.44 (d, 3 H). LCMS-ES: No ionization, Purity 99%. Chiral GC (column CP-Chirasil-DexnCB): 96% ee; Rt (minor) 17.7 minutes and Rt (major) 19.4 minutes.
(S)-1-(5-fluoro-2-iodophenyl)ethan-1-ol 上流と下流の製品情報
原材料
準備製品
(S)-1-(5-fluoro-2-iodophenyl)ethan-1-ol 生産企業
Global( 119)Suppliers
1454847-96-1()キーワード:
- 1454847-96-1
- (S)-1-(5-fluoro-2-iodophenyl)ethan-1-ol
- (1S)-1-(5-FLUORO-2-IODOPHENYL)ETHAN-1-OL
- EOS-60623
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