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
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关于此项目
经验公式（希尔记法）:
C29H28F6N4OS
化学文摘社编号:
分子量:
594.61
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352005
MDL number:
Quality Segment
assay
≥89.0%, 90%
form
lumps
functional group
amine, fluoro, thiourea
SMILES string
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 key
IQMKPBFOEWWDIQ-FRSFCCSCSA-N
Application
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.
Packaging
Bottomless glass bottle. Contents are inside inserted fused cone.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral
存储类别
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges