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Merck
CN

690384

N-[3,5-双(三氟甲基)苯基]-N′-[(8a,9S)-10,11-二氢-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)[(2S,4S,5R)-5-乙基-1-氮杂-二环[2.2.2]辛-2-基]-(6-甲氧基-4-喹啉基)甲基}硫脲, epi-N-二氢喹啉基-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):
C29H30F6N4OS
化学文摘社编号:
分子量:
596.63
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352005
MDL number:
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Quality Level

assay

≥89.0% (HPLC), 90%

form

lumps

optical activity

[α]/D -107.0±5.0°, c = 1 in chloroform

functional group

amine, fluoro, thiourea

SMILES string

CC[C@H]1CN2CCC1CC2[C@@H](NC(=S)Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F)c4ccnc5ccc(OC)cc45

InChI

1S/C29H30F6N4OS/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/h4-6,8,11-14,16-17,25-26H,3,7,9-10,15H2,1-2H3,(H2,37,38,41)/t16-,17-,25-,26-/m0/s1

InChI key

KBYUJTLQXUVPQI-FRSFCCSCSA-N

Application

采用双官能金鸡纳有机催化剂,进行硝基甲烷的高度对映选择性共轭加成反应,生成查耳酮

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.


pictograms

Skull and crossbones

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

法规信息

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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Urea- and thiourea-substituted cinchona alkaloid derivatives as highly efficient bifunctional organocatalysts for the asymmetric addition of malonate to nitroalkenes: inversion of configuration at C9 dramatically improves catalyst performance.
Séamus H McCooey et al.
Angewandte Chemie (International ed. in English), 44(39), 6367-6370 (2005-09-02)
Benedek Vakulya et al.
Organic letters, 7(10), 1967-1969 (2005-05-07)
Cinchona alkaloid-derived chiral bifunctional thiourea organocatalysts were synthesized and applied in the Michael addition between nitromethane and chalcones with high ee and chemical yields.



全球贸易项目编号

货号GTIN
690384-250MG04061833239179