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690481

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

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

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:

852913-16-7

分子量:

594.61

NACRES:

NA.22

PubChem Substance ID:

329761344

UNSPSC Code:

12352005

MDL number:

MFCD16875670

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属性

Quality Level

100

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

说明

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.

pictograms

GHS06

signalword

Danger

hcodes

H301

pcodes

P264 - P270 - P301 + P310 - P405 - P501

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

法规信息

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分析证书(COA)

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The Mannich reaction of malonates with simple imines catalyzed by bifunctional cinchona alkaloids: enantioselective synthesis of ?-amino acids

Song J, et al.

Journal of the American Chemical Society, 128(18), 6048-6049 (2006)

Asymmetric Friedel- Crafts reaction of indoles with imines by an organic catalyst

Wang Y-Q, et al.

Journal of the American Chemical Society, 128(25), 8156-8157 (2006)

Highly enantioselective conjugate addition of nitromethane to chalcones using bifunctional cinchona organocatalysts

Vakulya B, et al.

Organic Letters, 7(10), 1967-1969 (2005)

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全球贸易项目编号

货号	GTIN
690481-250MG	04061833239186