690481

N-[3,5-双(三氟甲基)苯基]-N′-[(8a,9S)-6′-甲氧基-9-金鸡宁]硫脲

90%

• 别名: 1-[3,5-双(三氟甲基)苯基)-3-{(S)(6-甲氧基-4-喹啉基)-[(2S,4S,5R)-5-乙烯基-1-氮杂-二环[2.2.2]辛-2-基]甲基}硫脲, epi-N-喹啉基-N′-双(3,5-三氟甲基)苯硫脲
• 经验公式（希尔记法）: C₂₉H₂₈F₆N₄OS
• CAS号: 852913-16-7
• 分子量: 594.61
• MDL號碼: MFCD16875670
• 分類程式碼代碼: 12352005
• PubChem物質ID: 329761344
• NACRES: NA.22

属性

• 化驗: ≥89.0%; 90%
• 形狀: lumps
• SMILES 字串: COc1ccc2nccc([C@H](NC(=S)Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C4CC5CCN4C[C@@H]5C=C)c2c1
• InChI: 1S/C29H28F6N4OS/c1-3-16-15-39-9-7-17(16)10-25(39)26(22-6-8-36-24-5-4-21(40-2)14-23(22)24)38-27(41)37-20-12-18(28(30,31)32)11-19(13-20)29(33,34)35/h3-6,8,11-14,16-17,25-26H,1,7,9-10,15H2,2H3,(H2,37,38,41)/t16-,17-,25-,26-/m0/s1
• InChI 密鑰: IQMKPBFOEWWDIQ-FRSFCCSCSA-N

说明

應用

N-[3,5-Bis(trifluoromethyl)phenyl]-N′-[(8a,9S)-6′-methoxy-9-cinchonanyl]thiourea is a bifunctional cinchona organocatalyst, which can be used to synthesize:

• Stereoselective diaryl(nitro)butanone via enantioselective Michael addition of nitromethane to chalcones.
• Enantioselective β-amino acids via asymmetric Mannich reaction of malonates with aryl and alkyl imines.
• The synthesis of 3-indolylmethanamines by the reaction of indoles with imines via asymmetric Friedel-Crafts reaction.
• The enantioselective conjugate addition of active methylene compounds to enones to obtain the corresponding addition products.

包裝

Bottomless glass bottle. Contents are inside inserted fused cone.

安全信息

• 象形圖: GHS06
• 訊號詞: Danger
• 危險聲明: H301
• 防範說明: P264 - P270 - P301 + P310 - P405 - P501
• 危險分類: Acute Tox. 3 Oral
• 儲存類別代碼: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• 水污染物質分類（WGK）: WGK 3
• 閃點（°F）: Not applicable
• 閃點（°C）: Not applicable
• 個人防護裝備: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges