728357
N-[(1R,2R)-2-(1-哌啶基）环己基]-N′-[4-（三氟甲基）苯基]四酰胺
95%
别名:
3-{[(1R,2R)-2-(1-Piperidinyl)cyclohexyl]amino}-4-{[4-(trifluoromethyl)phenyl]amino}-3-cyclobutene-1,2-dione, Rawal Squaramide Organocatalyst
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关于此项目
经验公式（希尔记法）:
C22H26F3N3O2
化学文摘社编号:
分子量:
421.46
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352005
MDL number:
InChI
1S/C22H26F3N3O2/c23-22(24,25)14-8-10-15(11-9-14)26-18-19(21(30)20(18)29)27-16-6-2-3-7-17(16)28-12-4-1-5-13-28/h8-11,16-17,26-27H,1-7,12-13H2/t16-,17-/m1/s1
SMILES string
FC(F)(F)c1ccc(NC2=C(N[C@@H]3CCCC[C@H]3N4CCCCC4)C(=O)C2=O)cc1
InChI key
JRSCPJJNZMRAQS-IAGOWNOFSA-N
assay
≥94.5% (HPLC), 95%
form
powder
optical activity
[α]/D -42.0±2.0°, c = 1 in DMSO
impurities
≤2.0% pyridine
functional group
fluoro, ketone
Quality Level
Application
Catalyst for enantioselective Michael addition.
It can act as a catalyst for the asymmetric tandem aza-Michael addition-protonation between 1-nitro cyclohexene and 4-methoxyaniline to form the corresponding α-arylamino-β-nitro cyclohexane in a 35:65 trans/cis mixture.
Packaging
Bottomless glass bottle. Contents are inside inserted fused cone.
signalword
Danger
hcodes
Hazard Classifications
Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
法规信息
新产品
此项目有
Squaramide-catalyzed enantioselective Michael addition of diphenyl phosphite to nitroalkenes.
Ye Zhu et al.
Angewandte Chemie (International ed. in English), 49(1), 153-156 (2009-12-02)
Stereoselective aza-Michael addition of anilines to 1-nitro cyclohexene by intramolecular protonation.
Ghisu L, et al.
Tetrahedron Letters, 56(46), 6409-6412 (2015)
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